1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene

C21H28F2 — CID 601618

IUPAC1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
SMILESCCCC1CCC(C2CC=C(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C21H28F2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h10,12-17H,2-9,11H2,1H3
InChIKeyUAFBBJSTQWUCGP-UHFFFAOYSA-N
MW318.45 g/mol
LogP6.75
Rot. Bonds4

About 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene

1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene (PubChem CID 601618) has the molecular formula C21H28F2 and a molecular weight of 318.45 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
PubChem CID601618
Molecular FormulaC21H28F2
Molecular Weight318.45 g/mol
Exact Mass318.22
IUPAC Name1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
SMILESCCCC1CCC(C2CC=C(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C21H28F2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h10,12-17H,2-9,11H2,1H3
InChIKeyUAFBBJSTQWUCGP-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.45
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene
CID 102396639
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-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 70498877
1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 126551449
1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738525
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene
CID 139779201
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
2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 139779236
1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene
CID 141297711

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene (CID 601618) is 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene is CCCC1CCC(C2CC=C(c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?
The InChIKey is UAFBBJSTQWUCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h10,12-17H,2-9,11H2,1H3.
What are the key properties of 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene has a molecular weight of 318.45 g/mol, XLogP of 6.75, 4 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-propylcyclohexyl)cyclohexen-1-yl]benzene is sourced from PubChem (CID 601618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).