1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene

C24H28F2 — CID 130176640

IUPAC1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene
SMILESCCCC1(C)CC=C(c2ccc(-c3ccc(CC)c(F)c3F)cc2)CC1
InChIInChI=1S/C24H28F2/c1-4-14-24(3)15-12-19(13-16-24)18-6-8-20(9-7-18)21-11-10-17(5-2)22(25)23(21)26/h6-12H,4-5,13-16H2,1-3H3
InChIKeyHLBBWLCQQTZLHZ-UHFFFAOYSA-N
MW354.48 g/mol
LogP7.57
Rot. Bonds5

About 1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene

1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene (PubChem CID 130176640) has the molecular formula C24H28F2 and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene
PubChem CID130176640
Molecular FormulaC24H28F2
Molecular Weight354.48 g/mol
Exact Mass354.22
IUPAC Name1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene
SMILESCCCC1(C)CC=C(c2ccc(-c3ccc(CC)c(F)c3F)cc2)CC1
InChIInChI=1S/C24H28F2/c1-4-14-24(3)15-12-19(13-16-24)18-6-8-20(9-7-18)21-11-10-17(5-2)22(25)23(21)26/h6-12H,4-5,13-16H2,1-3H3
InChIKeyHLBBWLCQQTZLHZ-UHFFFAOYSA-N
XLogP7.57
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 ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
CID 20727464
1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene
CID 142297519
1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol
CID 130197793
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738525
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 70820677
1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane
CID 91103793
5-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-2-propyl-1,3-dioxane
CID 67736869
2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane
CID 70820703
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 143772392

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene?
The IUPAC name of 1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene (CID 130176640) is 1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene.
What is the SMILES notation for 1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene?
The canonical SMILES for 1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene is CCCC1(C)CC=C(c2ccc(-c3ccc(CC)c(F)c3F)cc2)CC1.
What is the InChIKey of 1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene?
The InChIKey is HLBBWLCQQTZLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2/c1-4-14-24(3)15-12-19(13-16-24)18-6-8-20(9-7-18)21-11-10-17(5-2)22(25)23(21)26/h6-12H,4-5,13-16H2,1-3H3.
What are the key properties of 1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene?
1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene has a molecular weight of 354.48 g/mol, XLogP of 7.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene is sourced from PubChem (CID 130176640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).