1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene

C23H26F2 — CID 139749327

IUPAC1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
SMILESC=CCCc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2F)cc1
InChIInChI=1S/C23H26F2/c1-3-4-5-17-8-12-19(13-9-17)21-15-14-20(22(24)23(21)25)18-10-6-16(2)7-11-18/h3,8-9,12-16,18H,1,4-7,10-11H2,2H3
InChIKeyVBGXSWZPNKKRKU-UHFFFAOYSA-N
MW340.46 g/mol
LogP7.04
Rot. Bonds5

About 1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene

1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene (PubChem CID 139749327) has the molecular formula C23H26F2 and a molecular weight of 340.46 g/mol. Its IUPAC name is 1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
PubChem CID139749327
Molecular FormulaC23H26F2
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
SMILESC=CCCc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2F)cc1
InChIInChI=1S/C23H26F2/c1-3-4-5-17-8-12-19(13-9-17)21-15-14-20(22(24)23(21)25)18-10-6-16(2)7-11-18/h3,8-9,12-16,18H,1,4-7,10-11H2,2H3
InChIKeyVBGXSWZPNKKRKU-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
2-[4-(4-but-3-enylphenyl)-2,3-difluorophenyl]-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868644
1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene
CID 139749319
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene
CID 59791157
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 143909052
1-butyl-4-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 70820686
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 139749423
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065275
6-[2-(4-but-3-enylphenyl)ethynyl]-1-fluoro-2-(4-methylcyclohexyl)naphthalene
CID 139876731
2,3-difluoro-1-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-4-prop-2-enylbenzene
CID 67730556

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The IUPAC name of 1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene (CID 139749327) is 1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene is C=CCCc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2F)cc1.
What is the InChIKey of 1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The InChIKey is VBGXSWZPNKKRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2/c1-3-4-5-17-8-12-19(13-9-17)21-15-14-20(22(24)23(21)25)18-10-6-16(2)7-11-18/h3,8-9,12-16,18H,1,4-7,10-11H2,2H3.
What are the key properties of 1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene has a molecular weight of 340.46 g/mol, XLogP of 7.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 139749327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).