1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene

C20H25F3 — CID 134255989

IUPAC1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene
SMILESFCCc1ccc(C2=CCC(C3CCCCC3)CC2)c(F)c1F
InChIInChI=1S/C20H25F3/c21-13-12-17-10-11-18(20(23)19(17)22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h8,10-11,14-15H,1-7,9,12-13H2
InChIKeyUGPRYMRVEHYXLW-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.24
Rot. Bonds4

About 1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene

1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene (PubChem CID 134255989) has the molecular formula C20H25F3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene.

Molecular Properties

Compound Name1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene
PubChem CID134255989
Molecular FormulaC20H25F3
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene
SMILESFCCc1ccc(C2=CCC(C3CCCCC3)CC2)c(F)c1F
InChIInChI=1S/C20H25F3/c21-13-12-17-10-11-18(20(23)19(17)22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h8,10-11,14-15H,1-7,9,12-13H2
InChIKeyUGPRYMRVEHYXLW-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene
CID 134252787
2,3-difluoro-1-pentyl-4-[4-(4-prop-1-enylcyclohexyl)cyclohexen-1-yl]benzene
CID 76631739
1-[4-(4-ethylcyclohexyl)but-3-enyl]-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 77417388
1-(4-cyclohexylcyclohexen-1-yl)-4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67739870
1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene
CID 170065989
1-decyl-4-[4-[2,3-difluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-2,3-difluorobenzene
CID 67740005
1-[4-[2,3-difluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-2,3-difluoro-4-hexylbenzene
CID 67739959
2,3-difluoro-1-[4-(4-hept-3-enylcyclohexyl)cyclohexen-1-yl]-4-pentylbenzene
CID 76631726
1-[4-(2,3-difluoro-4-pentylphenyl)phenyl]-4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 67740061
1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene
CID 159834105
1-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 67740072
1-[4-(2,3-difluoro-4-nonylphenyl)phenyl]-4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 67740084

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene?
The IUPAC name of 1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene (CID 134255989) is 1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene.
What is the SMILES notation for 1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene?
The canonical SMILES for 1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene is FCCc1ccc(C2=CCC(C3CCCCC3)CC2)c(F)c1F.
What is the InChIKey of 1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene?
The InChIKey is UGPRYMRVEHYXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3/c21-13-12-17-10-11-18(20(23)19(17)22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h8,10-11,14-15H,1-7,9,12-13H2.
What are the key properties of 1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene?
1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene has a molecular weight of 322.41 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene is sourced from PubChem (CID 134255989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).