2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene

C24H27F — CID 19984826

IUPAC2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene
SMILESCCCc1ccc(-c2ccc(C#CC3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C24H27F/c1-3-4-22-15-16-23(17-24(22)25)21-13-11-20(12-14-21)10-9-19-7-5-18(2)6-8-19/h11-19H,3-8H2,1-2H3
InChIKeyVPRBZMYEOFULSS-UHFFFAOYSA-N
MW334.48 g/mol
LogP6.62
Rot. Bonds3

About 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene

2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene (PubChem CID 19984826) has the molecular formula C24H27F and a molecular weight of 334.48 g/mol. Its IUPAC name is 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene.

Molecular Properties

Compound Name2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene
PubChem CID19984826
Molecular FormulaC24H27F
Molecular Weight334.48 g/mol
Exact Mass334.21
IUPAC Name2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene
SMILESCCCc1ccc(-c2ccc(C#CC3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C24H27F/c1-3-4-22-15-16-23(17-24(22)25)21-13-11-20(12-14-21)10-9-19-7-5-18(2)6-8-19/h11-19H,3-8H2,1-2H3
InChIKeyVPRBZMYEOFULSS-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-4-[4-[2-(4-propylcyclohexyl)ethynyl]phenyl]aniline
CID 167218017
4-[4-[2-(4-but-1-enylcyclohexyl)ethynyl]phenyl]-1-chloro-2-fluorobenzene
CID 54507419
1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene
CID 161210191
1-butyl-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]-2-fluorobenzene
CID 19984920
4-[4-[2-(4-but-3-enylcyclohexyl)ethynyl]phenyl]-1,2-difluorobenzene
CID 19386421
4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]-2-fluoro-1-hexylbenzene
CID 19984644
4-[2-[4-[2-(3-fluoro-4-propylphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 22112379
1,2-difluoro-4-[4-[2-(4-pent-4-enylcyclohexyl)ethynyl]phenyl]benzene
CID 19386448
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene
CID 139749267
1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethynyl]-2-[2-(4-methylphenyl)ethynyl]benzene
CID 21359770
1-ethyl-2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexyl]ethynyl]benzene
CID 19984872
2-fluoro-1,4-bis[2-(3-fluoro-4-propylphenyl)ethynyl]benzene
CID 22112477

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene?
The IUPAC name of 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene (CID 19984826) is 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene.
What is the SMILES notation for 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene?
The canonical SMILES for 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene is CCCc1ccc(-c2ccc(C#CC3CCC(C)CC3)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene?
The InChIKey is VPRBZMYEOFULSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F/c1-3-4-22-15-16-23(17-24(22)25)21-13-11-20(12-14-21)10-9-19-7-5-18(2)6-8-19/h11-19H,3-8H2,1-2H3.
What are the key properties of 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene?
2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene has a molecular weight of 334.48 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene is sourced from PubChem (CID 19984826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).