2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene

C16H11ClF2O — CID 60801386

IUPAC2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene
SMILESFc1ccc(OCc2ccccc2F)c(C#CCCl)c1
InChIInChI=1S/C16H11ClF2O/c17-9-3-5-12-10-14(18)7-8-16(12)20-11-13-4-1-2-6-15(13)19/h1-2,4,6-8,10H,9,11H2
InChIKeyRJGXXWPHOVYJMW-UHFFFAOYSA-N
MW292.71 g/mol
LogP4.13
Rot. Bonds3

About 2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene

2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene (PubChem CID 60801386) has the molecular formula C16H11ClF2O and a molecular weight of 292.71 g/mol. Its IUPAC name is 2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene
PubChem CID60801386
Molecular FormulaC16H11ClF2O
Molecular Weight292.71 g/mol
Exact Mass292.05
IUPAC Name2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene
SMILESFc1ccc(OCc2ccccc2F)c(C#CCCl)c1
InChIInChI=1S/C16H11ClF2O/c17-9-3-5-12-10-14(18)7-8-16(12)20-11-13-4-1-2-6-15(13)19/h1-2,4,6-8,10H,9,11H2
InChIKeyRJGXXWPHOVYJMW-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]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

2-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyrimidine
CID 62699587
1-chloro-2-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]-3-fluorobenzene
CID 63418212
2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 60802239
4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine
CID 60801715
2-[[2-(3-chloroprop-1-ynyl)phenoxy]methyl]-1,3-difluorobenzene
CID 114932781
3-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine
CID 54923377
2-(3-chloroprop-1-ynyl)-4-fluoro-1-(2-methoxyethoxy)benzene
CID 60801214
4-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol
CID 60800079
2-(3-chloroprop-1-ynyl)-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
CID 60799542
1-[[2-(4-chlorobut-1-ynyl)phenoxy]methyl]-2,3-difluorobenzene
CID 60802065
2-[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]-N,N-diethylethanamine
CID 54923375
1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene
CID 79020415

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene?
The IUPAC name of 2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene (CID 60801386) is 2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene?
The canonical SMILES for 2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene is Fc1ccc(OCc2ccccc2F)c(C#CCCl)c1.
What is the InChIKey of 2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene?
The InChIKey is RJGXXWPHOVYJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2O/c17-9-3-5-12-10-14(18)7-8-16(12)20-11-13-4-1-2-6-15(13)19/h1-2,4,6-8,10H,9,11H2.
What are the key properties of 2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene?
2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene has a molecular weight of 292.71 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 60801386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).