1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene

C22H24F2 — CID 142297519

IUPAC1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene
SMILESCCc1ccc(-c2ccc(C3=CCC(CC)CC3)cc2)c(F)c1F
InChIInChI=1S/C22H24F2/c1-3-15-5-7-17(8-6-15)18-9-11-19(12-10-18)20-14-13-16(4-2)21(23)22(20)24/h7,9-15H,3-6,8H2,1-2H3
InChIKeyOIYCTOWGHKJHCD-UHFFFAOYSA-N
MW326.43 g/mol
LogP6.79
Rot. Bonds4

About 1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene

1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene (PubChem CID 142297519) has the molecular formula C22H24F2 and a molecular weight of 326.43 g/mol. Its IUPAC name is 1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene
PubChem CID142297519
Molecular FormulaC22H24F2
Molecular Weight326.43 g/mol
Exact Mass326.18
IUPAC Name1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene
SMILESCCc1ccc(-c2ccc(C3=CCC(CC)CC3)cc2)c(F)c1F
InChIInChI=1S/C22H24F2/c1-3-15-5-7-17(8-6-15)18-9-11-19(12-10-18)20-14-13-16(4-2)21(23)22(20)24/h7,9-15H,3-6,8H2,1-2H3
InChIKeyOIYCTOWGHKJHCD-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.43
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene 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

1-but-2-enyl-4-[4-[4-(4-ethylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluorobenzene
CID 77343762
2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene
CID 59257271
1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 123183366
1-[4-[2,3-difluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 67731907
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 67731873
1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738525
1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538383
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexen-1-yl)phenyl]phenyl]-4-pent-4-enylbenzene
CID 67731374
1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 168776499
1-(4-but-3-enylcyclohexen-1-yl)-4-[4-(2,3-difluoro-4-nonylphenyl)phenyl]-2,3-difluorobenzene
CID 67732059
1-[4-[2,3-difluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 67740179
2,3-difluoro-1-[4-[3-fluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]-4-octylbenzene
CID 67731546

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene?
The IUPAC name of 1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene (CID 142297519) is 1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene?
The canonical SMILES for 1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene is CCc1ccc(-c2ccc(C3=CCC(CC)CC3)cc2)c(F)c1F.
What is the InChIKey of 1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene?
The InChIKey is OIYCTOWGHKJHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2/c1-3-15-5-7-17(8-6-15)18-9-11-19(12-10-18)20-14-13-16(4-2)21(23)22(20)24/h7,9-15H,3-6,8H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene?
1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene has a molecular weight of 326.43 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene is sourced from PubChem (CID 142297519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).