1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene

C29H36F4O — CID 121354195

IUPAC1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(OC(F)(F)C3CCC(C4CCC(C)CC4)CC3)c(F)c2F)cc1
InChIInChI=1S/C29H36F4O/c1-3-4-20-7-11-23(12-8-20)25-17-18-26(28(31)27(25)30)34-29(32,33)24-15-13-22(14-16-24)21-9-5-19(2)6-10-21/h7-8,11-12,17-19,21-22,24H,3-6,9-10,13-16H2,1-2H3
InChIKeyQYKBWHQCVYWPQU-UHFFFAOYSA-N
MW476.60 g/mol
LogP9.19
Rot. Bonds7

About 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene

1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene (PubChem CID 121354195) has the molecular formula C29H36F4O and a molecular weight of 476.60 g/mol. Its IUPAC name is 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene
PubChem CID121354195
Molecular FormulaC29H36F4O
Molecular Weight476.60 g/mol
Exact Mass476.27
IUPAC Name1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(OC(F)(F)C3CCC(C4CCC(C)CC4)CC3)c(F)c2F)cc1
InChIInChI=1S/C29H36F4O/c1-3-4-20-7-11-23(12-8-20)25-17-18-26(28(31)27(25)30)34-29(32,33)24-15-13-22(14-16-24)21-9-5-19(2)6-10-21/h7-8,11-12,17-19,21-22,24H,3-6,9-10,13-16H2,1-2H3
InChIKeyQYKBWHQCVYWPQU-UHFFFAOYSA-N
XLogP9.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 134477175
6-[4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorophenyl]-1,2,3,8-tetrafluoronaphthalene
CID 118900566
1-[difluoro-(4-methylcyclohexyl)methoxy]-4-[4-[(3,4-difluorophenoxy)-difluoromethyl]phenyl]-2,3-difluorobenzene
CID 135223725
1-[4-[(3,4-difluorophenoxy)-difluoromethyl]cyclohexyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118601479
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
1-decoxy-2,3-difluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 118374115
1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene
CID 21353205
1-ethoxy-2,3-difluoro-4-[4-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]phenyl]benzene
CID 58555455
1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene
CID 77417109
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2,3-difluorobenzene
CID 143772822
1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144647908
5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 144714464

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene?
The IUPAC name of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene (CID 121354195) is 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(OC(F)(F)C3CCC(C4CCC(C)CC4)CC3)c(F)c2F)cc1.
What is the InChIKey of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene?
The InChIKey is QYKBWHQCVYWPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F4O/c1-3-4-20-7-11-23(12-8-20)25-17-18-26(28(31)27(25)30)34-29(32,33)24-15-13-22(14-16-24)21-9-5-19(2)6-10-21/h7-8,11-12,17-19,21-22,24H,3-6,9-10,13-16H2,1-2H3.
What are the key properties of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene?
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene has a molecular weight of 476.60 g/mol, XLogP of 9.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene is sourced from PubChem (CID 121354195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).