(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen

C158H242F14O14 — CID 162132796

IUPAC(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen
SMILESCC1CCC(C(=O)Oc2cc3c(c(F)c2F)OC(C)CC3)CC1.CC1CCC(C2CCC(C(=O)Oc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(CCc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(CCc2cc3c(c(F)c2F)OC(C)CC3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H36F2O.C24H32F2O3.3C24H34F2O2.C19H26F2O.C18H22F2O3.12H2/c1-16-3-9-19(10-4-16)20-12-6-18(7-13-20)8-14-21-15-22-11-5-17(2)28-25(22)24(27)23(21)26;1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)24(27)29-20-13-19-8-5-15(2)28-23(19)22(26)21(20)25;3*1-15-3-8-18(9-4-15)19-11-6-17(7-12-19)14-27-21-13-20-10-5-16(2)28-24(20)23(26)22(21)25;1-12-3-6-14(7-4-12)8-10-15-11-16-9-5-13(2)22-19(16)18(21)17(15)20;1-10-3-6-12(7-4-10)18(21)23-14-9-13-8-5-11(2)22-17(13)16(20)15(14)19;;;;;;;;;;;;/h15-20H,3-14H2,1-2H3;13-18H,3-12H2,1-2H3;3*13,15-19H,3-12,14H2,1-2H3;11-14H,3-10H2,1-2H3;9-12H,3-8H2,1-2H3;12*1H
InChIKeyZIWPUQKJPJLDBL-UHFFFAOYSA-N
MW2631.63 g/mol
LogP46.33
Rot. Bonds24

About (7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen

(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen (PubChem CID 162132796) has the molecular formula C158H242F14O14 and a molecular weight of 2631.63 g/mol. Its IUPAC name is (7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen.

Molecular Properties

Compound Name(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen
PubChem CID162132796
Molecular FormulaC158H242F14O14
Molecular Weight2631.63 g/mol
Exact Mass2629.80
IUPAC Name(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen
SMILESCC1CCC(C(=O)Oc2cc3c(c(F)c2F)OC(C)CC3)CC1.CC1CCC(C2CCC(C(=O)Oc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(CCc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(CCc2cc3c(c(F)c2F)OC(C)CC3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H36F2O.C24H32F2O3.3C24H34F2O2.C19H26F2O.C18H22F2O3.12H2/c1-16-3-9-19(10-4-16)20-12-6-18(7-13-20)8-14-21-15-22-11-5-17(2)28-25(22)24(27)23(21)26;1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)24(27)29-20-13-19-8-5-15(2)28-23(19)22(26)21(20)25;3*1-15-3-8-18(9-4-15)19-11-6-17(7-12-19)14-27-21-13-20-10-5-16(2)28-24(20)23(26)22(21)25;1-12-3-6-14(7-4-12)8-10-15-11-16-9-5-13(2)22-19(16)18(21)17(15)20;1-10-3-6-12(7-4-10)18(21)23-14-9-13-8-5-11(2)22-17(13)16(20)15(14)19;;;;;;;;;;;;/h15-20H,3-14H2,1-2H3;13-18H,3-12H2,1-2H3;3*13,15-19H,3-12,14H2,1-2H3;11-14H,3-10H2,1-2H3;9-12H,3-8H2,1-2H3;12*1H
InChIKeyZIWPUQKJPJLDBL-UHFFFAOYSA-N
XLogP46.33
TPSA144.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002631.63
LogP ≤ 546.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen with MolForge

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Related Compounds

7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen
CID 159860631
7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene
CID 90278325
7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 59795168
[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl] 4-cyclohexylcyclohexane-1-carboxylate
CID 134387369
6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795181
[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 19776135
7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 102471063
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
(3,4,5-trifluoro-6-propyl-9H-xanthen-2-yl) 4-propylcyclohexane-1-carboxylate
CID 118891401
[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl] 4-methylcyclohexane-1-carboxylate
CID 20726274
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene
CID 59795281

Frequently Asked Questions

What is the IUPAC name of (7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen?
The IUPAC name of (7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen (CID 162132796) is (7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen.
What is the SMILES notation for (7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen?
The canonical SMILES for (7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen is CC1CCC(C(=O)Oc2cc3c(c(F)c2F)OC(C)CC3)CC1.CC1CCC(C2CCC(C(=O)Oc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(CCc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(CCc2cc3c(c(F)c2F)OC(C)CC3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen?
The InChIKey is ZIWPUQKJPJLDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F2O.C24H32F2O3.3C24H34F2O2.C19H26F2O.C18H22F2O3.12H2/c1-16-3-9-19(10-4-16)20-12-6-18(7-13-20)8-14-21-15-22-11-5-17(2)28-25(22)24(27)23(21)26;1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)24(27)29-20-13-19-8-5-15(2)28-23(19)22(26)21(20)25;3*1-15-3-8-18(9-4-15)19-11-6-17(7-12-19)14-27-21-13-20-10-5-16(2)28-24(20)23(26)22(21)25;1-12-3-6-14(7-4-12)8-10-15-11-16-9-5-13(2)22-19(16)18(21)17(15)20;1-10-3-6-12(7-4-10)18(21)23-14-9-13-8-5-11(2)22-17(13)16(20)15(14)19;;;;;;;;;;;;/h15-20H,3-14H2,1-2H3;13-18H,3-12H2,1-2H3;3*13,15-19H,3-12,14H2,1-2H3;11-14H,3-10H2,1-2H3;9-12H,3-8H2,1-2H3;12*1H.
What are the key properties of (7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen?
(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen has a molecular weight of 2631.63 g/mol, XLogP of 46.33, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen is sourced from PubChem (CID 162132796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).