2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene

C13H7Cl3F2 — CID 55199949

IUPAC2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene
SMILESFc1cccc(F)c1C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl3F2/c14-7-4-5-8(9(15)6-7)13(16)12-10(17)2-1-3-11(12)18/h1-6,13H
InChIKeyHDMDPNGUALKPFL-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.60
Rot. Bonds2

About 2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene

2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene (PubChem CID 55199949) has the molecular formula C13H7Cl3F2 and a molecular weight of 307.55 g/mol. Its IUPAC name is 2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene
PubChem CID55199949
Molecular FormulaC13H7Cl3F2
Molecular Weight307.55 g/mol
Exact Mass305.96
IUPAC Name2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene
SMILESFc1cccc(F)c1C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl3F2/c14-7-4-5-8(9(15)6-7)13(16)12-10(17)2-1-3-11(12)18/h1-6,13H
InChIKeyHDMDPNGUALKPFL-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene
CID 63443899
(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 61271392
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63444209
N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63501905
2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene
CID 63443935
2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
CID 55198991
2,4-dichloro-1-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63443981
1-chloro-4-[chloro-(2-chloro-6-fluorophenyl)methyl]naphthalene
CID 79592596
1-[chloro-(2,4-dichlorophenyl)methyl]-2-methylnaphthalene
CID 81430002
1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene
CID 63444025

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene?
The IUPAC name of 2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene (CID 55199949) is 2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene is Fc1cccc(F)c1C(Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene?
The InChIKey is HDMDPNGUALKPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F2/c14-7-4-5-8(9(15)6-7)13(16)12-10(17)2-1-3-11(12)18/h1-6,13H.
What are the key properties of 2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene?
2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene has a molecular weight of 307.55 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene is sourced from PubChem (CID 55199949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).