tert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol

C157H165F45N14O14 — CID 158727943

IUPACtert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol
SMILESCC(C)(C)OC(=O)N1CCCC2OC2C1.CC(C)(C)OC(=O)N1CCC[C@@H](n2c3ccccc3c3cc(C(F)(F)F)ccc32)[C@H](O)C1.CC(C)(C)OC=O.FC(F)(F)c1ccc2[nH]c3ccccc3c2c1.FC(F)F.FC(F)F.FC(F)F.FC(F)F.FC(F)F.FC(F)F.FC(F)F.O=C(N1CCC[C@@H](n2c3ccccc3c3cc(C(F)(F)F)ccc32)[C@H](O)C1)C(F)(F)F.O[C@@H]1CCCNC[C@H]1n1c2ccccc2c2cc(C(F)(F)F)ccc21.O[C@@H]1CNCCC[C@H]1n1c2ccccc2c2cc(C(F)(F)F)ccc21.O[C@@H]1CNCCC[C@H]1n1c2ccccc2c2cc(C(F)(F)F)ccc21.O[C@H]1CNCCC[C@@H]1n1c2ccccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C24H27F3N2O3.C21H18F6N2O2.4C19H19F3N2O.C13H8F3N.C11H19NO3.C5H10O2.7CHF3/c1-23(2,3)32-22(31)28-12-6-9-20(21(30)14-28)29-18-8-5-4-7-16(18)17-13-15(24(25,26)27)10-11-19(17)29;22-20(23,24)12-7-8-16-14(10-12)13-4-1-2-5-15(13)29(16)17-6-3-9-28(11-18(17)30)19(31)21(25,26)27;20-19(21,22)12-7-8-16-14(10-12)13-4-1-2-5-15(13)24(16)17-11-23-9-3-6-18(17)25;3*20-19(21,22)12-7-8-16-14(10-12)13-4-1-2-5-15(13)24(16)17-6-3-9-23-11-18(17)25;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;1-11(2,3)15-10(13)12-6-4-5-8-9(7-12)14-8;1-5(2,3)7-4-6;7*2-1(3)4/h4-5,7-8,10-11,13,20-21,30H,6,9,12,14H2,1-3H3;1-2,4-5,7-8,10,17-18,30H,3,6,9,11H2;4*1-2,4-5,7-8,10,17-18,23,25H,3,6,9,11H2;1-7,17H;8-9H,4-7H2,1-3H3;4H,1-3H3;7*1H/t20-,21-;5*17-,18-;;;;;;;;;;/m111110........../s1
InChIKeyIKSYDNGOUROEOL-NJRTUBAHSA-N
MW3327.04 g/mol
LogP42.37
Rot. Bonds7

About tert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol

tert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol (PubChem CID 158727943) has the molecular formula C157H165F45N14O14 and a molecular weight of 3327.04 g/mol. Its IUPAC name is tert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol.

Molecular Properties

Compound Nametert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol
PubChem CID158727943
Molecular FormulaC157H165F45N14O14
Molecular Weight3327.04 g/mol
Exact Mass3325.19
IUPAC Nametert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol
SMILESCC(C)(C)OC(=O)N1CCCC2OC2C1.CC(C)(C)OC(=O)N1CCC[C@@H](n2c3ccccc3c3cc(C(F)(F)F)ccc32)[C@H](O)C1.CC(C)(C)OC=O.FC(F)(F)c1ccc2[nH]c3ccccc3c2c1.FC(F)F.FC(F)F.FC(F)F.FC(F)F.FC(F)F.FC(F)F.FC(F)F.O=C(N1CCC[C@@H](n2c3ccccc3c3cc(C(F)(F)F)ccc32)[C@H](O)C1)C(F)(F)F.O[C@@H]1CCCNC[C@H]1n1c2ccccc2c2cc(C(F)(F)F)ccc21.O[C@@H]1CNCCC[C@H]1n1c2ccccc2c2cc(C(F)(F)F)ccc21.O[C@@H]1CNCCC[C@H]1n1c2ccccc2c2cc(C(F)(F)F)ccc21.O[C@H]1CNCCC[C@@H]1n1c2ccccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C24H27F3N2O3.C21H18F6N2O2.4C19H19F3N2O.C13H8F3N.C11H19NO3.C5H10O2.7CHF3/c1-23(2,3)32-22(31)28-12-6-9-20(21(30)14-28)29-18-8-5-4-7-16(18)17-13-15(24(25,26)27)10-11-19(17)29;22-20(23,24)12-7-8-16-14(10-12)13-4-1-2-5-15(13)29(16)17-6-3-9-28(11-18(17)30)19(31)21(25,26)27;20-19(21,22)12-7-8-16-14(10-12)13-4-1-2-5-15(13)24(16)17-11-23-9-3-6-18(17)25;3*20-19(21,22)12-7-8-16-14(10-12)13-4-1-2-5-15(13)24(16)17-6-3-9-23-11-18(17)25;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;1-11(2,3)15-10(13)12-6-4-5-8-9(7-12)14-8;1-5(2,3)7-4-6;7*2-1(3)4/h4-5,7-8,10-11,13,20-21,30H,6,9,12,14H2,1-3H3;1-2,4-5,7-8,10,17-18,30H,3,6,9,11H2;4*1-2,4-5,7-8,10,17-18,23,25H,3,6,9,11H2;1-7,17H;8-9H,4-7H2,1-3H3;4H,1-3H3;7*1H/t20-,21-;5*17-,18-;;;;;;;;;;/m111110........../s1
InChIKeyIKSYDNGOUROEOL-NJRTUBAHSA-N
XLogP42.37
TPSA333.09 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds7
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003327.04
LogP ≤ 542.37
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol with MolForge

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Related Compounds

tert-butyl (3R,4R)-3-hydroxy-4-[8-methyl-2-(trifluoromethyl)pyrido[3,2-b]indol-5-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;8-methyl-2-(trifluoromethyl)-5H-pyrido[3,2-b]indole;(3R,4R)-4-[8-methyl-2-(trifluoromethyl)pyrido[3,2-b]indol-5-yl]azepan-3-ol
CID 157793087
tert-butyl (3R,4R)-3-hydroxy-4-[3-methyl-6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;3-methyl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole;(3R,4R)-4-[3-methyl-6-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]azepan-3-ol
CID 158293084
tert-butyl (3R,4R)-3-hydroxy-4-[6-methyl-4-methylsulfanyl-3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl (3R,4R)-3-hydroxy-4-[6-methyl-4-methylsulfonyl-3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;6-methyl-4-methylsulfanyl-3-(trifluoromethyl)-9H-carbazole;(3R,4R)-4-[6-methyl-4-methylsulfonyl-3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol
CID 159574434
tert-butyl (3R)-3-hydroxy-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidine-1-carboxylate;tert-butyl (3R,4R)-3-hydroxy-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidine-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidine-1-carboxylate;tert-butyl (4R)-4-hydroxy-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3-methyl-6-(trifluoromethyl)-9H-carbazole;(3R)-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidin-3-ol;(3R,4R)-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidin-3-ol;(3S,4S)-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidin-3-ol;(4R)-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidin-4-ol
CID 159979302
tert-butyl (3R,4R)-3-hydroxy-4-[6-methyl-2-methylsulfanyl-3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl (3R,4R)-3-hydroxy-4-[6-methyl-2-methylsulfonyl-3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;6-methyl-2-methylsulfanyl-3-(trifluoromethyl)-9H-carbazole;(3R,4R)-4-[6-methyl-2-methylsulfonyl-3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol
CID 161774239
tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol
CID 159447519
tert-butyl (3R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxyazepane-1-carboxylate;tert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxyazepane-1-carboxylate;tert-butyl (3S,4S)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxyazepane-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxyazepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;3,6-dichloro-9H-carbazole;(3R,4R)-4-(3,6-dichlorocarbazol-9-yl)azepan-3-ol;(3S,4S)-4-(3,6-dichlorocarbazol-9-yl)azepan-3-ol
CID 160407303

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol?
The IUPAC name of tert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol (CID 158727943) is tert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol.
What is the SMILES notation for tert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol?
The canonical SMILES for tert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol is CC(C)(C)OC(=O)N1CCCC2OC2C1.CC(C)(C)OC(=O)N1CCC[C@@H](n2c3ccccc3c3cc(C(F)(F)F)ccc32)[C@H](O)C1.CC(C)(C)OC=O.FC(F)(F)c1ccc2[nH]c3ccccc3c2c1.FC(F)F.FC(F)F.FC(F)F.FC(F)F.FC(F)F.FC(F)F.FC(F)F.O=C(N1CCC[C@@H](n2c3ccccc3c3cc(C(F)(F)F)ccc32)[C@H](O)C1)C(F)(F)F.O[C@@H]1CCCNC[C@H]1n1c2ccccc2c2cc(C(F)(F)F)ccc21.O[C@@H]1CNCCC[C@H]1n1c2ccccc2c2cc(C(F)(F)F)ccc21.O[C@@H]1CNCCC[C@H]1n1c2ccccc2c2cc(C(F)(F)F)ccc21.O[C@H]1CNCCC[C@@H]1n1c2ccccc2c2cc(C(F)(F)F)ccc21.
What is the InChIKey of tert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol?
The InChIKey is IKSYDNGOUROEOL-NJRTUBAHSA-N. The full InChI is InChI=1S/C24H27F3N2O3.C21H18F6N2O2.4C19H19F3N2O.C13H8F3N.C11H19NO3.C5H10O2.7CHF3/c1-23(2,3)32-22(31)28-12-6-9-20(21(30)14-28)29-18-8-5-4-7-16(18)17-13-15(24(25,26)27)10-11-19(17)29;22-20(23,24)12-7-8-16-14(10-12)13-4-1-2-5-15(13)29(16)17-6-3-9-28(11-18(17)30)19(31)21(25,26)27;20-19(21,22)12-7-8-16-14(10-12)13-4-1-2-5-15(13)24(16)17-11-23-9-3-6-18(17)25;3*20-19(21,22)12-7-8-16-14(10-12)13-4-1-2-5-15(13)24(16)17-6-3-9-23-11-18(17)25;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;1-11(2,3)15-10(13)12-6-4-5-8-9(7-12)14-8;1-5(2,3)7-4-6;7*2-1(3)4/h4-5,7-8,10-11,13,20-21,30H,6,9,12,14H2,1-3H3;1-2,4-5,7-8,10,17-18,30H,3,6,9,11H2;4*1-2,4-5,7-8,10,17-18,23,25H,3,6,9,11H2;1-7,17H;8-9H,4-7H2,1-3H3;4H,1-3H3;7*1H/t20-,21-;5*17-,18-;;;;;;;;;;/m111110........../s1.
What are the key properties of tert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol?
tert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol has a molecular weight of 3327.04 g/mol, XLogP of 42.37, 7 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;tert-butyl (3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepane-1-carboxylate;tert-butyl 8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate;fluoroform;2,2,2-trifluoro-1-[(3R,4R)-3-hydroxy-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-1-yl]ethanone;3-(trifluoromethyl)-9H-carbazole;(3R,4R)-3-[3-(trifluoromethyl)carbazol-9-yl]azepan-4-ol;bis((3R,4R)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol);(3S,4S)-4-[3-(trifluoromethyl)carbazol-9-yl]azepan-3-ol is sourced from PubChem (CID 158727943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).