1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene

C14H9Cl3F2O — CID 63436864

IUPAC1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene
SMILESFC(F)Oc1cccc(C(Cl)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H9Cl3F2O/c15-9-4-5-12(16)11(7-9)13(17)8-2-1-3-10(6-8)20-14(18)19/h1-7,13-14H
InChIKeyVZUVYWCEYWIRPA-UHFFFAOYSA-N
MW337.58 g/mol
LogP5.92
Rot. Bonds4

About 1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene

1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene (PubChem CID 63436864) has the molecular formula C14H9Cl3F2O and a molecular weight of 337.58 g/mol. Its IUPAC name is 1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene
PubChem CID63436864
Molecular FormulaC14H9Cl3F2O
Molecular Weight337.58 g/mol
Exact Mass335.97
IUPAC Name1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene
SMILESFC(F)Oc1cccc(C(Cl)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H9Cl3F2O/c15-9-4-5-12(16)11(7-9)13(17)8-2-1-3-10(6-8)20-14(18)19/h1-7,13-14H
InChIKeyVZUVYWCEYWIRPA-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.58
LogP ≤ 55.92
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-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
CID 61084726
1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 63436332
2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene
CID 63436738
1-chloro-2-[chloro-(3-propan-2-yloxyphenyl)methyl]-4,5-difluorobenzene
CID 107477257
(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine
CID 115801705
2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene
CID 104546489
(5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol
CID 104546174
1-[chloro-[3-(difluoromethoxy)phenyl]methyl]-4-ethylbenzene
CID 63431932
2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 115840311
1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 105022622
1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811785
(2,3-dichlorophenyl)-[3-(difluoromethoxy)phenyl]methanol
CID 115792966

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene?
The IUPAC name of 1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene (CID 63436864) is 1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene is FC(F)Oc1cccc(C(Cl)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene?
The InChIKey is VZUVYWCEYWIRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3F2O/c15-9-4-5-12(16)11(7-9)13(17)8-2-1-3-10(6-8)20-14(18)19/h1-7,13-14H.
What are the key properties of 1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene?
1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene has a molecular weight of 337.58 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene is sourced from PubChem (CID 63436864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).