3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene

C188H155F34N13O8 — CID 158795075

IUPAC3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene
SMILESCc1c(F)cc(F)cc1F.Cc1c(F)cccc1F.Cc1cc(F)ccc1F.Cc1ccc(F)c(F)c1.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1cccc(C(F)(F)F)c1.Cc1cccc(N2COc3cc4ccc5c(c4cc3C2)OCN(c2cccc(C(F)(F)F)c2)C5)c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncccn1.FC(F)(F)c1ccccc1N1COc2cc3cc4c(cc3cc2C1)CN(c1ccccc1C(F)(F)F)CO4.Fc1cc(F)c(N2COc3cc4ccc5c(c4cc3C2)OCN(c2c(F)cc(F)cc2F)C5)c(F)c1.Fc1ccc(N2COc3cc4cc5c(cc4cc3C2)CN(c2ccc(F)c(F)c2)CO5)cc1F
InChIInChI=1S/C28H20F6N2O2.C28H23F3N2O2.C26H16F6N2O2.C26H18F4N2O2.C8H7F3.C7H5F3.4C7H6F2.C7H7F.C7H8.3C6H7N.C5H6N2/c29-27(30,31)21-5-1-3-7-23(21)35-13-19-9-17-10-20-14-36(24-8-4-2-6-22(24)28(32,33)34)16-38-26(20)12-18(17)11-25(19)37-15-35;1-18-4-2-6-23(10-18)33-15-21-11-25-19(12-26(21)34-16-33)8-9-20-14-32(17-35-27(20)25)24-7-3-5-22(13-24)28(29,30)31;27-16-5-19(29)24(20(30)6-16)33-9-14-2-1-13-4-23-15(3-18(13)26(14)36-12-33)10-34(11-35-23)25-21(31)7-17(28)8-22(25)32;27-21-3-1-19(9-23(21)29)31-11-17-5-15-6-18-12-32(20-2-4-22(28)24(30)10-20)14-34-26(18)8-16(15)7-25(17)33-13-31;1-6-3-2-4-7(5-6)8(9,10)11;1-4-6(9)2-5(8)3-7(4)10;1-5-4-6(8)2-3-7(5)9;1-5-2-3-6(8)4-7(5)9;1-5-2-3-6(8)7(9)4-5;1-5-6(8)3-2-4-7(5)9;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5/h1-12H,13-16H2;2-13H,14-17H2,1H3;1-8H,9-12H2;1-10H,11-14H2;2-5H,1H3;2-3H,1H3;4*2-4H,1H3;2-5H,1H3;2-6H,1H3;3*2-5H,1H3;2-4H,1H3
InChIKeyISTMPLQXJSQGTI-UHFFFAOYSA-N
MW3370.32 g/mol
LogP50.57
Rot. Bonds8

About 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene

3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene (PubChem CID 158795075) has the molecular formula C188H155F34N13O8 and a molecular weight of 3370.32 g/mol. Its IUPAC name is 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene.

Molecular Properties

Compound Name3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene
PubChem CID158795075
Molecular FormulaC188H155F34N13O8
Molecular Weight3370.32 g/mol
Exact Mass3368.16
IUPAC Name3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene
SMILESCc1c(F)cc(F)cc1F.Cc1c(F)cccc1F.Cc1cc(F)ccc1F.Cc1ccc(F)c(F)c1.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1cccc(C(F)(F)F)c1.Cc1cccc(N2COc3cc4ccc5c(c4cc3C2)OCN(c2cccc(C(F)(F)F)c2)C5)c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncccn1.FC(F)(F)c1ccccc1N1COc2cc3cc4c(cc3cc2C1)CN(c1ccccc1C(F)(F)F)CO4.Fc1cc(F)c(N2COc3cc4ccc5c(c4cc3C2)OCN(c2c(F)cc(F)cc2F)C5)c(F)c1.Fc1ccc(N2COc3cc4cc5c(cc4cc3C2)CN(c2ccc(F)c(F)c2)CO5)cc1F
InChIInChI=1S/C28H20F6N2O2.C28H23F3N2O2.C26H16F6N2O2.C26H18F4N2O2.C8H7F3.C7H5F3.4C7H6F2.C7H7F.C7H8.3C6H7N.C5H6N2/c29-27(30,31)21-5-1-3-7-23(21)35-13-19-9-17-10-20-14-36(24-8-4-2-6-22(24)28(32,33)34)16-38-26(20)12-18(17)11-25(19)37-15-35;1-18-4-2-6-23(10-18)33-15-21-11-25-19(12-26(21)34-16-33)8-9-20-14-32(17-35-27(20)25)24-7-3-5-22(13-24)28(29,30)31;27-16-5-19(29)24(20(30)6-16)33-9-14-2-1-13-4-23-15(3-18(13)26(14)36-12-33)10-34(11-35-23)25-21(31)7-17(28)8-22(25)32;27-21-3-1-19(9-23(21)29)31-11-17-5-15-6-18-12-32(20-2-4-22(28)24(30)10-20)14-34-26(18)8-16(15)7-25(17)33-13-31;1-6-3-2-4-7(5-6)8(9,10)11;1-4-6(9)2-5(8)3-7(4)10;1-5-4-6(8)2-3-7(5)9;1-5-2-3-6(8)4-7(5)9;1-5-2-3-6(8)7(9)4-5;1-5-6(8)3-2-4-7(5)9;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5/h1-12H,13-16H2;2-13H,14-17H2,1H3;1-8H,9-12H2;1-10H,11-14H2;2-5H,1H3;2-3H,1H3;4*2-4H,1H3;2-5H,1H3;2-6H,1H3;3*2-5H,1H3;2-4H,1H3
InChIKeyISTMPLQXJSQGTI-UHFFFAOYSA-N
XLogP50.57
TPSA164.21 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds8
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003370.32
LogP ≤ 550.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene with MolForge

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Related Compounds

4-(6-Methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine
CID 58336366
3-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-N-[3-[6-(methylamino)pyrimidin-4-yl]-2-pyridinyl]isoquinoline-1,5-diamine
CID 67436573
6-methyl-5-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxy-N-[2-methyl-5-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 68151539
4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-7,7-dimethyl-2-[1-(pyrimidin-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydroquinoline
CID 86682424
2-{1-[5-(Cyclohex-1-en-1-yl)pyrimidin-2-yl]piperidin-4-yl}-4-(4,4-difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-7,7-dimethyl-5,6,7,8-tetrahydroquinoline
CID 86682430
4-(4,4-Difluorocyclohexyl)-2-{1-[5-(ethoxymethyl)pyrimidin-2-yl]piperidin-4-yl}-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-7,7-dimethyl-5,6,7,8-tetrahydroquinoline
CID 86682435
4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-2-{1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl}-7,7-dimethyl-5,6,7,8-tetrahydroquinoline
CID 86682437
4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-7,7-dimethyl-2-(1-{5-[(propan-2-yloxy)methyl]pyrimidin-2-yl}piperidin-4-yl)-5,6,7,8-tetrahydroquinoline
CID 86682439
4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-7,7-dimethyl-2-(1-{5-[(2-methylpropoxy)methyl]pyrimidin-2-yl}piperidin-4-yl)-5,6,7,8-tetrahydroquinoline
CID 86682441
(5S)-4-(4,4-difluorocyclohexyl)-3-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-5-[(4-methoxyphenyl)methoxy]-7,7-dimethyl-2-(1-pyrimidin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-quinoline
CID 89523210
(5S)-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-5-[(4-methoxyphenyl)methoxy]-7,7-dimethyl-2-(1-pyrimidin-2-ylpiperidin-4-yl)-6,8-dihydro-5H-quinoline
CID 89523211
(5S)-4-(4,4-difluorocyclohexyl)-3-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl]-5-[(4-methoxyphenyl)methoxy]-7,7-dimethyl-6,8-dihydro-5H-quinoline
CID 89523748

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene?
The IUPAC name of 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene (CID 158795075) is 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene.
What is the SMILES notation for 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene?
The canonical SMILES for 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene is Cc1c(F)cc(F)cc1F.Cc1c(F)cccc1F.Cc1cc(F)ccc1F.Cc1ccc(F)c(F)c1.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1cccc(C(F)(F)F)c1.Cc1cccc(N2COc3cc4ccc5c(c4cc3C2)OCN(c2cccc(C(F)(F)F)c2)C5)c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncccn1.FC(F)(F)c1ccccc1N1COc2cc3cc4c(cc3cc2C1)CN(c1ccccc1C(F)(F)F)CO4.Fc1cc(F)c(N2COc3cc4ccc5c(c4cc3C2)OCN(c2c(F)cc(F)cc2F)C5)c(F)c1.Fc1ccc(N2COc3cc4cc5c(cc4cc3C2)CN(c2ccc(F)c(F)c2)CO5)cc1F.
What is the InChIKey of 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene?
The InChIKey is ISTMPLQXJSQGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F6N2O2.C28H23F3N2O2.C26H16F6N2O2.C26H18F4N2O2.C8H7F3.C7H5F3.4C7H6F2.C7H7F.C7H8.3C6H7N.C5H6N2/c29-27(30,31)21-5-1-3-7-23(21)35-13-19-9-17-10-20-14-36(24-8-4-2-6-22(24)28(32,33)34)16-38-26(20)12-18(17)11-25(19)37-15-35;1-18-4-2-6-23(10-18)33-15-21-11-25-19(12-26(21)34-16-33)8-9-20-14-32(17-35-27(20)25)24-7-3-5-22(13-24)28(29,30)31;27-16-5-19(29)24(20(30)6-16)33-9-14-2-1-13-4-23-15(3-18(13)26(14)36-12-33)10-34(11-35-23)25-21(31)7-17(28)8-22(25)32;27-21-3-1-19(9-23(21)29)31-11-17-5-15-6-18-12-32(20-2-4-22(28)24(30)10-20)14-34-26(18)8-16(15)7-25(17)33-13-31;1-6-3-2-4-7(5-6)8(9,10)11;1-4-6(9)2-5(8)3-7(4)10;1-5-4-6(8)2-3-7(5)9;1-5-2-3-6(8)4-7(5)9;1-5-2-3-6(8)7(9)4-5;1-5-6(8)3-2-4-7(5)9;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5/h1-12H,13-16H2;2-13H,14-17H2,1H3;1-8H,9-12H2;1-10H,11-14H2;2-5H,1H3;2-3H,1H3;4*2-4H,1H3;2-5H,1H3;2-6H,1H3;3*2-5H,1H3;2-4H,1H3.
What are the key properties of 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene?
3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene has a molecular weight of 3370.32 g/mol, XLogP of 50.57, 8 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene is sourced from PubChem (CID 158795075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).