1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene

C24H28F2 — CID 123183366

IUPAC1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
SMILESCCC1CC=C(c2ccc(-c3ccc(C(C)CC)cc3)c(F)c2F)CC1
InChIInChI=1S/C24H28F2/c1-4-16(3)18-10-12-20(13-11-18)22-15-14-21(23(25)24(22)26)19-8-6-17(5-2)7-9-19/h8,10-17H,4-7,9H2,1-3H3
InChIKeyZNCVKYLPOFPMOW-UHFFFAOYSA-N
MW354.48 g/mol
LogP7.74
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene

1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene (PubChem CID 123183366) has the molecular formula C24H28F2 and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
PubChem CID123183366
Molecular FormulaC24H28F2
Molecular Weight354.48 g/mol
Exact Mass354.22
IUPAC Name1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
SMILESCCC1CC=C(c2ccc(-c3ccc(C(C)CC)cc3)c(F)c2F)CC1
InChIInChI=1S/C24H28F2/c1-4-16(3)18-10-12-20(13-11-18)22-15-14-21(23(25)24(22)26)19-8-6-17(5-2)7-9-19/h8,10-17H,4-7,9H2,1-3H3
InChIKeyZNCVKYLPOFPMOW-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene
CID 142297519
1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 168776499
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 67731873
1-[4-[2,3-difluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 67731907
3-chloro-1-(4-ethylcyclohexen-1-yl)-2-fluoro-4-(4-pentylphenyl)benzene
CID 59257383
2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene
CID 59257271
1-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-2,3-difluoro-4-(4-propylcyclohexen-1-yl)benzene
CID 118601350
3-chloro-1-(4-ethylcyclohexen-1-yl)-2-fluoro-4-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]benzene
CID 59257123
1-(4-but-3-enylcyclohexen-1-yl)-4-[4-(2,3-difluoro-4-nonylphenyl)phenyl]-2,3-difluorobenzene
CID 67732059
1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538383
1-(4-but-3-enylcyclohexen-1-yl)-4-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67732064
1-[4-[2,3-difluoro-4-(4-nonylcyclohexen-1-yl)phenyl]phenyl]-2,3-difluoro-4-pent-2-enoxybenzene
CID 77343985

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene?
The IUPAC name of 1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene (CID 123183366) is 1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene is CCC1CC=C(c2ccc(-c3ccc(C(C)CC)cc3)c(F)c2F)CC1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene?
The InChIKey is ZNCVKYLPOFPMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2/c1-4-16(3)18-10-12-20(13-11-18)22-15-14-21(23(25)24(22)26)19-8-6-17(5-2)7-9-19/h8,10-17H,4-7,9H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene?
1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene has a molecular weight of 354.48 g/mol, XLogP of 7.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene is sourced from PubChem (CID 123183366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).