4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene

C22H30F2 — CID 102396639

IUPAC4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene
SMILESCCCCC1CCC(C2CC=C(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H30F2/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(23)22(24)15-20/h11,13-18H,2-10,12H2,1H3
InChIKeyBBDMWRVOGQBZBF-UHFFFAOYSA-N
MW332.48 g/mol
LogP7.14
Rot. Bonds5

About 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene

4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene (PubChem CID 102396639) has the molecular formula C22H30F2 and a molecular weight of 332.48 g/mol. Its IUPAC name is 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene
PubChem CID102396639
Molecular FormulaC22H30F2
Molecular Weight332.48 g/mol
Exact Mass332.23
IUPAC Name4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene
SMILESCCCCC1CCC(C2CC=C(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H30F2/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(23)22(24)15-20/h11,13-18H,2-10,12H2,1H3
InChIKeyBBDMWRVOGQBZBF-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.48
LogP ≤ 57.14
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
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene
CID 139779201
2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 70498877
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethyl)benzene
CID 139779196
4-[4-(4-dodecylcyclohexyl)cyclohexen-1-yl]-2-fluoro-1-(trifluoromethyl)benzene
CID 139779202
1,2,3-trifluoro-5-[(4R)-4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 86326322
1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 70499884
2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene
CID 165341497
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-hexylbenzene
CID 67738933
1-butyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738932
1-decyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738918
1-ethoxy-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738953

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene (CID 102396639) is 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene is CCCCC1CCC(C2CC=C(c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene?
The InChIKey is BBDMWRVOGQBZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(23)22(24)15-20/h11,13-18H,2-10,12H2,1H3.
What are the key properties of 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene?
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene has a molecular weight of 332.48 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene is sourced from PubChem (CID 102396639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).