1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene

C14H10Cl2F2O — CID 81265241

IUPAC1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene
SMILESCOc1ccc(C(Cl)c2cccc(Cl)c2F)c(F)c1
InChIInChI=1S/C14H10Cl2F2O/c1-19-8-5-6-9(12(17)7-8)13(16)10-3-2-4-11(15)14(10)18/h2-7,13H,1H3
InChIKeyPVWSQNVCSUCEDD-UHFFFAOYSA-N
MW303.14 g/mol
LogP4.95
Rot. Bonds3

About 1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene

1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene (PubChem CID 81265241) has the molecular formula C14H10Cl2F2O and a molecular weight of 303.14 g/mol. Its IUPAC name is 1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene
PubChem CID81265241
Molecular FormulaC14H10Cl2F2O
Molecular Weight303.14 g/mol
Exact Mass302.01
IUPAC Name1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene
SMILESCOc1ccc(C(Cl)c2cccc(Cl)c2F)c(F)c1
InChIInChI=1S/C14H10Cl2F2O/c1-19-8-5-6-9(12(17)7-8)13(16)10-3-2-4-11(15)14(10)18/h2-7,13H,1H3
InChIKeyPVWSQNVCSUCEDD-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene
CID 63434136
1-[bromo-(3-chloro-2-fluorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 81267470
(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 107096474
1-chloro-2-[2-chloro-2-(2-fluoro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63434219
1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 55197963
3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene
CID 102884472
3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-methylfuran
CID 61083480
1-(1-chloro-2,2-dimethylpropyl)-2-fluoro-4-methoxybenzene
CID 61084063
1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 114488001
1-bromo-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-4-iodobenzene
CID 114026269
1-[chloro-(2,4-dimethoxyphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304043
1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 61084057

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene?
The IUPAC name of 1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene (CID 81265241) is 1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene is COc1ccc(C(Cl)c2cccc(Cl)c2F)c(F)c1.
What is the InChIKey of 1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene?
The InChIKey is PVWSQNVCSUCEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2O/c1-19-8-5-6-9(12(17)7-8)13(16)10-3-2-4-11(15)14(10)18/h2-7,13H,1H3.
What are the key properties of 1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene?
1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene has a molecular weight of 303.14 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 81265241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).