1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene

C14H10Cl2F2O — CID 69055296

IUPAC1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1ccc(C(Cl)(Cl)c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C14H10Cl2F2O/c1-19-11-6-7-12(13(18)8-11)14(15,16)9-2-4-10(17)5-3-9/h2-8H,1H3
InChIKeyYBXLILUZKWNMIA-UHFFFAOYSA-N
MW303.14 g/mol
LogP4.65
Rot. Bonds3

About 1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene

1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene (PubChem CID 69055296) has the molecular formula C14H10Cl2F2O and a molecular weight of 303.14 g/mol. Its IUPAC name is 1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene
PubChem CID69055296
Molecular FormulaC14H10Cl2F2O
Molecular Weight303.14 g/mol
Exact Mass302.01
IUPAC Name1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1ccc(C(Cl)(Cl)c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C14H10Cl2F2O/c1-19-11-6-7-12(13(18)8-11)14(15,16)9-2-4-10(17)5-3-9/h2-8H,1H3
InChIKeyYBXLILUZKWNMIA-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
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

2-fluoro-2-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 69346788
2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
CID 134360467
1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 103395200
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
CID 174755555
1-(2-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 103395231
1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol
CID 103394960
1-(4-fluoro-2-methylphenyl)-1-(4-methoxyphenyl)ethanol
CID 62787280
4-chloro-6-[difluoro-(2-fluoro-4-methoxyphenyl)methyl]pyrimidine
CID 59744076
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
2-fluoro-4-methoxyaniline
CID 3756383

Frequently Asked Questions

What is the IUPAC name of 1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene (CID 69055296) is 1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene is COc1ccc(C(Cl)(Cl)c2ccc(F)cc2)c(F)c1.
What is the InChIKey of 1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene?
The InChIKey is YBXLILUZKWNMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2O/c1-19-11-6-7-12(13(18)8-11)14(15,16)9-2-4-10(17)5-3-9/h2-8H,1H3.
What are the key properties of 1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene?
1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene has a molecular weight of 303.14 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dichloro-(4-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 69055296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).