1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene

C15H12Cl2F2O — CID 65433307

IUPAC1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene
SMILESCOc1cccc(F)c1C(Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H12Cl2F2O/c1-20-14-7-3-6-13(19)15(14)11(17)8-9-10(16)4-2-5-12(9)18/h2-7,11H,8H2,1H3
InChIKeyAQNHDRFVVZOEKN-UHFFFAOYSA-N
MW317.16 g/mol
LogP5.15
Rot. Bonds4

About 1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene

1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene (PubChem CID 65433307) has the molecular formula C15H12Cl2F2O and a molecular weight of 317.16 g/mol. Its IUPAC name is 1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene
PubChem CID65433307
Molecular FormulaC15H12Cl2F2O
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene
SMILESCOc1cccc(F)c1C(Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H12Cl2F2O/c1-20-14-7-3-6-13(19)15(14)11(17)8-9-10(16)4-2-5-12(9)18/h2-7,11H,8H2,1H3
InChIKeyAQNHDRFVVZOEKN-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.16
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-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

2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1-fluoro-3-methoxybenzene
CID 65433500
[2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252351
1-chloro-2-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63429035
2-(3-chloro-2-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 102857818
1-chloro-2-[2-chloro-2-(2-fluoro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63434219
2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine
CID 66461583
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
1-chloro-2-[2-chloro-2-[2-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene
CID 63518476
1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63520420
1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
CID 65434992
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115983920
1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene
CID 63430919

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene?
The IUPAC name of 1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene (CID 65433307) is 1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene is COc1cccc(F)c1C(Cl)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene?
The InChIKey is AQNHDRFVVZOEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2O/c1-20-14-7-3-6-13(19)15(14)11(17)8-9-10(16)4-2-5-12(9)18/h2-7,11H,8H2,1H3.
What are the key properties of 1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene?
1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene has a molecular weight of 317.16 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene is sourced from PubChem (CID 65433307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).