1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene

C27H39F — CID 70499884

IUPAC1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
SMILESCCCC1CCC(C2CCC(C3CC=C(c4ccc(F)cc4)CC3)CC2)CC1
InChIInChI=1S/C27H39F/c1-2-3-20-4-6-21(7-5-20)22-8-10-23(11-9-22)24-12-14-25(15-13-24)26-16-18-27(28)19-17-26/h14,16-24H,2-13,15H2,1H3
InChIKeyCFMCTSAWJWYKKM-UHFFFAOYSA-N
MW382.61 g/mol
LogP8.42
Rot. Bonds5

About 1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene

1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene (PubChem CID 70499884) has the molecular formula C27H39F and a molecular weight of 382.61 g/mol. Its IUPAC name is 1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
PubChem CID70499884
Molecular FormulaC27H39F
Molecular Weight382.61 g/mol
Exact Mass382.30
IUPAC Name1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
SMILESCCCC1CCC(C2CCC(C3CC=C(c4ccc(F)cc4)CC3)CC2)CC1
InChIInChI=1S/C27H39F/c1-2-3-20-4-6-21(7-5-20)22-8-10-23(11-9-22)24-12-14-25(15-13-24)26-16-18-27(28)19-17-26/h14,16-24H,2-13,15H2,1H3
InChIKeyCFMCTSAWJWYKKM-UHFFFAOYSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.61
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 601618
1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 126551449
1,2,3-trifluoro-5-[(4R)-4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 86326322
1-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene
CID 19984601
2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene
CID 165341497
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene
CID 102396639
1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene
CID 141297711
2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 70498877
1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738525
1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 67739856
N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine
CID 100994058
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene
CID 139779201

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene?
The IUPAC name of 1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene (CID 70499884) is 1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene?
The canonical SMILES for 1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene is CCCC1CCC(C2CCC(C3CC=C(c4ccc(F)cc4)CC3)CC2)CC1.
What is the InChIKey of 1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene?
The InChIKey is CFMCTSAWJWYKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39F/c1-2-3-20-4-6-21(7-5-20)22-8-10-23(11-9-22)24-12-14-25(15-13-24)26-16-18-27(28)19-17-26/h14,16-24H,2-13,15H2,1H3.
What are the key properties of 1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene?
1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene has a molecular weight of 382.61 g/mol, XLogP of 8.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene is sourced from PubChem (CID 70499884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).