1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene

C13H7ClF4 — CID 61086405

IUPAC1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C13H7ClF4/c14-13(9-3-1-7(15)5-11(9)17)10-4-2-8(16)6-12(10)18/h1-6,13H
InChIKeySNMZOSCUVHZQHJ-UHFFFAOYSA-N
MW274.64 g/mol
LogP4.57
Rot. Bonds2

About 1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene

1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene (PubChem CID 61086405) has the molecular formula C13H7ClF4 and a molecular weight of 274.64 g/mol. Its IUPAC name is 1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
PubChem CID61086405
Molecular FormulaC13H7ClF4
Molecular Weight274.64 g/mol
Exact Mass274.02
IUPAC Name1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C13H7ClF4/c14-13(9-3-1-7(15)5-11(9)17)10-4-2-8(16)6-12(10)18/h1-6,13H
InChIKeySNMZOSCUVHZQHJ-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.64
LogP ≤ 54.57
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-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433476
1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 79756723
1-bromo-2-[chloro-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63433650
1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
CID 82890318
1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene
CID 114030828
1-[chloro-(2,4-difluorophenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62866237
2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan
CID 106855486
3-[chloro-(2,4-difluorophenyl)methyl]-4-methylthiophene
CID 79807495
3-[chloro-(2,4-difluorophenyl)methyl]-2,5-dimethylfuran
CID 61084571
1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene
CID 107955921
1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene
CID 63434008
2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82816483

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene?
The IUPAC name of 1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene (CID 61086405) is 1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene is Fc1ccc(C(Cl)c2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene?
The InChIKey is SNMZOSCUVHZQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4/c14-13(9-3-1-7(15)5-11(9)17)10-4-2-8(16)6-12(10)18/h1-6,13H.
What are the key properties of 1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene?
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene has a molecular weight of 274.64 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene is sourced from PubChem (CID 61086405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).