1-fluoro-2-(3-phenylprop-2-ynyl)benzene

C15H11F — CID 46894531

IUPAC1-fluoro-2-(3-phenylprop-2-ynyl)benzene
SMILESFc1ccccc1CC#Cc1ccccc1
InChIInChI=1S/C15H11F/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12H,11H2
InChIKeyYBMYBHBNYLSTFY-UHFFFAOYSA-N
MW210.25 g/mol
LogP3.42
Rot. Bonds1

About 1-fluoro-2-(3-phenylprop-2-ynyl)benzene

1-fluoro-2-(3-phenylprop-2-ynyl)benzene (PubChem CID 46894531) has the molecular formula C15H11F and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-fluoro-2-(3-phenylprop-2-ynyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(3-phenylprop-2-ynyl)benzene
PubChem CID46894531
Molecular FormulaC15H11F
Molecular Weight210.25 g/mol
Exact Mass210.08
IUPAC Name1-fluoro-2-(3-phenylprop-2-ynyl)benzene
SMILESFc1ccccc1CC#Cc1ccccc1
InChIInChI=1S/C15H11F/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12H,11H2
InChIKeyYBMYBHBNYLSTFY-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-2-(3-phenylprop-2-ynyl)benzene 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

N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62341214
2-(3-phenylprop-2-ynyl)aniline
CID 46849273
1-chloro-4-(3-phenylprop-2-ynyl)benzene
CID 71393321
2-fluoro-N-(3-phenylprop-2-ynyl)aniline
CID 55060373
2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 115957965
1-(3-phenylprop-2-ynyl)-3,5-bis(trifluoromethyl)benzene
CID 54756772
1,3-dimethoxy-5-(3-phenylprop-2-ynyl)benzene
CID 67418685
1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene
CID 87128685
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine
CID 63934930
azane;1-fluoro-2-(fluoromethyl)benzene
CID 174977857
4-phenylbut-3-yne-1-thiol
CID 12602832

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(3-phenylprop-2-ynyl)benzene?
The IUPAC name of 1-fluoro-2-(3-phenylprop-2-ynyl)benzene (CID 46894531) is 1-fluoro-2-(3-phenylprop-2-ynyl)benzene.
What is the SMILES notation for 1-fluoro-2-(3-phenylprop-2-ynyl)benzene?
The canonical SMILES for 1-fluoro-2-(3-phenylprop-2-ynyl)benzene is Fc1ccccc1CC#Cc1ccccc1.
What is the InChIKey of 1-fluoro-2-(3-phenylprop-2-ynyl)benzene?
The InChIKey is YBMYBHBNYLSTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12H,11H2.
What are the key properties of 1-fluoro-2-(3-phenylprop-2-ynyl)benzene?
1-fluoro-2-(3-phenylprop-2-ynyl)benzene has a molecular weight of 210.25 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(3-phenylprop-2-ynyl)benzene is sourced from PubChem (CID 46894531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).