1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene

C16H10Cl2F2O — CID 103040606

IUPAC1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene
SMILESFc1cc(C#CCCl)cc(OCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H10Cl2F2O/c17-5-1-2-11-6-13(19)9-14(7-11)21-10-12-3-4-16(20)15(18)8-12/h3-4,6-9H,5,10H2
InChIKeyDODYEICSKUSRFY-UHFFFAOYSA-N
MW327.16 g/mol
LogP4.79
Rot. Bonds3

About 1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene

1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene (PubChem CID 103040606) has the molecular formula C16H10Cl2F2O and a molecular weight of 327.16 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene
PubChem CID103040606
Molecular FormulaC16H10Cl2F2O
Molecular Weight327.16 g/mol
Exact Mass326.01
IUPAC Name1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene
SMILESFc1cc(C#CCCl)cc(OCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H10Cl2F2O/c17-5-1-2-11-6-13(19)9-14(7-11)21-10-12-3-4-16(20)15(18)8-12/h3-4,6-9H,5,10H2
InChIKeyDODYEICSKUSRFY-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 54.79
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 1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene 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

3-[3-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol
CID 107885357
1-(3-chloroprop-1-ynyl)-3-[(3,5-dimethylphenyl)methoxy]-5-fluorobenzene
CID 81314752
3-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 103040611
2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 103040665
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
4-[3-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol
CID 81315261
3-[3-[(2,5-dichlorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-amine
CID 81314508
4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenoxy]methyl]phenol
CID 81326535
1-(3-chloroprop-1-ynyl)-3-fluoro-5-(3-phenylpropoxy)benzene
CID 81314382
2-[[3-(3-chloroprop-1-ynyl)-5-fluorophenoxy]methyl]benzonitrile
CID 81315158
1-(3-chloroprop-1-ynyl)-3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106705573
4-chloro-1-[[3-(3-chloroprop-1-ynyl)phenoxy]methyl]-2-fluorobenzene
CID 114857364

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene (CID 103040606) is 1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene is Fc1cc(C#CCCl)cc(OCc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene?
The InChIKey is DODYEICSKUSRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F2O/c17-5-1-2-11-6-13(19)9-14(7-11)21-10-12-3-4-16(20)15(18)8-12/h3-4,6-9H,5,10H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene?
1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene has a molecular weight of 327.16 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene is sourced from PubChem (CID 103040606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).