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

C14H10Cl2F2O — CID 82879437

IUPAC2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene
SMILESCOc1ccc(C(Cl)c2ccc(F)c(Cl)c2)cc1F
InChIInChI=1S/C14H10Cl2F2O/c1-19-13-5-3-9(7-12(13)18)14(16)8-2-4-11(17)10(15)6-8/h2-7,14H,1H3
InChIKeyWNEUCQDZRIYVAN-UHFFFAOYSA-N
MW303.14 g/mol
LogP4.95
Rot. Bonds3

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

2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene (PubChem CID 82879437) has the molecular formula C14H10Cl2F2O and a molecular weight of 303.14 g/mol. Its IUPAC name is 2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene
PubChem CID82879437
Molecular FormulaC14H10Cl2F2O
Molecular Weight303.14 g/mol
Exact Mass302.01
IUPAC Name2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene
SMILESCOc1ccc(C(Cl)c2ccc(F)c(Cl)c2)cc1F
InChIInChI=1S/C14H10Cl2F2O/c1-19-13-5-3-9(7-12(13)18)14(16)8-2-4-11(17)10(15)6-8/h2-7,14H,1H3
InChIKeyWNEUCQDZRIYVAN-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

(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene
CID 63434160
4-(dichloromethyl)-2-fluoro-1-methoxybenzene
CID 150361147
1-bromo-2-[chloro-(3-chloro-4-fluorophenyl)methyl]-4,5-dimethoxybenzene
CID 82876669
1-[chloro-(3-chloro-4-methoxyphenyl)methyl]-2,3,4-trifluorobenzene
CID 79756898
1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 55198869
4-[bromo-(3-chloro-4-fluorophenyl)methyl]-1-methoxy-2-methylbenzene
CID 82878606
4-bromo-2-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427533
2-chloro-4-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-1-fluorobenzene
CID 82876049
2-chloro-4-[chloro-(4-methylphenyl)methyl]-1-methoxybenzene
CID 55198679
4-(1-chloro-2,2,2-trifluoroethyl)-2-fluoro-1-methoxybenzene
CID 61085047
2-chloro-4-[chloro-(4-methylsulfanylphenyl)methyl]-1-methoxybenzene
CID 79217437

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene?
The IUPAC name of 2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene (CID 82879437) is 2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene is COc1ccc(C(Cl)c2ccc(F)c(Cl)c2)cc1F.
What is the InChIKey of 2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene?
The InChIKey is WNEUCQDZRIYVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2O/c1-19-13-5-3-9(7-12(13)18)14(16)8-2-4-11(17)10(15)6-8/h2-7,14H,1H3.
What are the key properties of 2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene?
2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-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 2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene is sourced from PubChem (CID 82879437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).