2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene

C24H29F — CID 139749267

IUPAC2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene
SMILESC/C=C/CCc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C24H29F/c1-3-4-5-6-22-15-16-23(17-24(22)25)21-13-11-20(12-14-21)19-9-7-18(2)8-10-19/h3-4,11-19H,5-10H2,1-2H3/b4-3+
InChIKeyKYHKRFMFSXNHEZ-ONEGZZNKSA-N
MW336.49 g/mol
LogP7.30
Rot. Bonds5

About 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene

2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene (PubChem CID 139749267) has the molecular formula C24H29F and a molecular weight of 336.49 g/mol. Its IUPAC name is 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene
PubChem CID139749267
Molecular FormulaC24H29F
Molecular Weight336.49 g/mol
Exact Mass336.23
IUPAC Name2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene
SMILESC/C=C/CCc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C24H29F/c1-3-4-5-6-22-15-16-23(17-24(22)25)21-13-11-20(12-14-21)19-9-7-18(2)8-10-19/h3-4,11-19H,5-10H2,1-2H3/b4-3+
InChIKeyKYHKRFMFSXNHEZ-ONEGZZNKSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.49
LogP ≤ 57.30
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

2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene
CID 90730414
2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 76621394
2-fluoro-4-(4-methylcyclohexyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 139749385
2-fluoro-1-[3-fluoro-4-[(E)-pent-3-enyl]phenyl]-4-(4-propoxycyclohexyl)benzene
CID 139749323
1-(4-but-2-enylphenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane
CID 158452462
6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860851
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 23569878
(4aR,6R,8aR)-2-methyl-6-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809526
1-[(Z)-but-2-enyl]-2,3-difluoro-4-[4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 143772631
2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144809449
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 158317433

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene?
The IUPAC name of 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene (CID 139749267) is 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene.
What is the SMILES notation for 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene?
The canonical SMILES for 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene is C/C=C/CCc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene?
The InChIKey is KYHKRFMFSXNHEZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H29F/c1-3-4-5-6-22-15-16-23(17-24(22)25)21-13-11-20(12-14-21)19-9-7-18(2)8-10-19/h3-4,11-19H,5-10H2,1-2H3/b4-3+.
What are the key properties of 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene?
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene has a molecular weight of 336.49 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene is sourced from PubChem (CID 139749267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).