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

C27H34F2 — CID 19892612

IUPAC1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
SMILESCCCc1ccc(C2CCC(C3CCC(c4ccc(F)c(F)c4)CC3)CC2)cc1
InChIInChI=1S/C27H34F2/c1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-26(28)27(29)18-25/h4-7,16-18,21-24H,2-3,8-15H2,1H3
InChIKeySXIAKXPEVIJZMF-UHFFFAOYSA-N
MW396.57 g/mol
LogP8.17
Rot. Bonds5

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

1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene (PubChem CID 19892612) has the molecular formula C27H34F2 and a molecular weight of 396.57 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
PubChem CID19892612
Molecular FormulaC27H34F2
Molecular Weight396.57 g/mol
Exact Mass396.26
IUPAC Name1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
SMILESCCCc1ccc(C2CCC(C3CCC(c4ccc(F)c(F)c4)CC3)CC2)cc1
InChIInChI=1S/C27H34F2/c1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-26(28)27(29)18-25/h4-7,16-18,21-24H,2-3,8-15H2,1H3
InChIKeySXIAKXPEVIJZMF-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.57
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-(3,4-difluorophenyl)-4-(4-ethylcyclohexyl)cycloheptane
CID 130256431
4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
CID 154010858
(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 56620245
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 57115523
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
2-(4-methylcyclohexyl)-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837511
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene (CID 19892612) is 1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene is CCCc1ccc(C2CCC(C3CCC(c4ccc(F)c(F)c4)CC3)CC2)cc1.
What is the InChIKey of 1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene?
The InChIKey is SXIAKXPEVIJZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F2/c1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-26(28)27(29)18-25/h4-7,16-18,21-24H,2-3,8-15H2,1H3.
What are the key properties of 1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene?
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene has a molecular weight of 396.57 g/mol, XLogP of 8.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 19892612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).