4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene

C21H20F2 — CID 67685961

IUPAC4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene
SMILESFc1ccc(C#Cc2ccc(CCC3CCCC3)cc2)cc1F
InChIInChI=1S/C21H20F2/c22-20-14-13-19(15-21(20)23)12-11-18-9-7-17(8-10-18)6-5-16-3-1-2-4-16/h7-10,13-16H,1-6H2
InChIKeyGDVRPVJDLXODNL-UHFFFAOYSA-N
MW310.39 g/mol
LogP5.49
Rot. Bonds3

About 4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene

4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene (PubChem CID 67685961) has the molecular formula C21H20F2 and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene
PubChem CID67685961
Molecular FormulaC21H20F2
Molecular Weight310.39 g/mol
Exact Mass310.15
IUPAC Name4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene
SMILESFc1ccc(C#Cc2ccc(CCC3CCCC3)cc2)cc1F
InChIInChI=1S/C21H20F2/c22-20-14-13-19(15-21(20)23)12-11-18-9-7-17(8-10-18)6-5-16-3-1-2-4-16/h7-10,13-16H,1-6H2
InChIKeyGDVRPVJDLXODNL-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.39
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-[2-[4-(2-cyclohexylethyl)phenyl]ethynyl]-2-fluorobenzene
CID 139807515
1-chloro-2-fluoro-4-[2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 67858554
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
6-[2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]ethynyl]-1,2-difluoronaphthalene
CID 139858313
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene
CID 139787825
2-[4-(2-cyclohexylethyl)phenyl]ethanamine
CID 15036641
4-chloro-2-fluoro-1-[2-[4-[2-(4-hexylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 139807569
2-fluoro-6-[2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]ethynyl]naphthalene
CID 139856901
1,2,3-trifluoro-6-[2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]ethynyl]naphthalene
CID 139858278
4-chloro-2-fluoro-1-[2-[4-[2-[4-[(E)-prop-1-enoxy]cyclohexyl]ethyl]phenyl]ethynyl]benzene
CID 139807608
1-[2-[4-[2-(4-but-1-ynylcyclohexyl)ethyl]phenyl]ethynyl]-4-chloro-2-fluorobenzene
CID 139807519

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene?
The IUPAC name of 4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene (CID 67685961) is 4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene is Fc1ccc(C#Cc2ccc(CCC3CCCC3)cc2)cc1F.
What is the InChIKey of 4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene?
The InChIKey is GDVRPVJDLXODNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2/c22-20-14-13-19(15-21(20)23)12-11-18-9-7-17(8-10-18)6-5-16-3-1-2-4-16/h7-10,13-16H,1-6H2.
What are the key properties of 4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene?
4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene has a molecular weight of 310.39 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene is sourced from PubChem (CID 67685961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).