2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene

C14H9Cl2F3O — CID 114850377

IUPAC2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene
SMILESFc1cc(Cl)ccc1COc1c(F)cc(CCl)cc1F
InChIInChI=1S/C14H9Cl2F3O/c15-6-8-3-12(18)14(13(19)4-8)20-7-9-1-2-10(16)5-11(9)17/h1-5H,6-7H2
InChIKeyMWDKAIDOAQYBCH-UHFFFAOYSA-N
MW321.13 g/mol
LogP5.08
Rot. Bonds4

About 2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene

2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene (PubChem CID 114850377) has the molecular formula C14H9Cl2F3O and a molecular weight of 321.13 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene
PubChem CID114850377
Molecular FormulaC14H9Cl2F3O
Molecular Weight321.13 g/mol
Exact Mass320.00
IUPAC Name2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene
SMILESFc1cc(Cl)ccc1COc1c(F)cc(CCl)cc1F
InChIInChI=1S/C14H9Cl2F3O/c15-6-8-3-12(18)14(13(19)4-8)20-7-9-1-2-10(16)5-11(9)17/h1-5H,6-7H2
InChIKeyMWDKAIDOAQYBCH-UHFFFAOYSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.13
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene 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

1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745268
2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-dimethylbenzene
CID 103047032
5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene
CID 114930615
4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene
CID 166609586
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
[3,5-difluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877122
[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850107
[3-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]methanol
CID 114850200
5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene
CID 63566239

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene (CID 114850377) is 2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene is Fc1cc(Cl)ccc1COc1c(F)cc(CCl)cc1F.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene?
The InChIKey is MWDKAIDOAQYBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3O/c15-6-8-3-12(18)14(13(19)4-8)20-7-9-1-2-10(16)5-11(9)17/h1-5H,6-7H2.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene?
2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene has a molecular weight of 321.13 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene is sourced from PubChem (CID 114850377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).