2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene

C14H9ClF4 — CID 82816483

IUPAC2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene
SMILESCc1ccc(F)c(C(Cl)c2ccc(F)cc2F)c1F
InChIInChI=1S/C14H9ClF4/c1-7-2-5-10(17)12(14(7)19)13(15)9-4-3-8(16)6-11(9)18/h2-6,13H,1H3
InChIKeyYLHJVUMXLFXXEY-UHFFFAOYSA-N
MW288.67 g/mol
LogP4.88
Rot. Bonds2

About 2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene

2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene (PubChem CID 82816483) has the molecular formula C14H9ClF4 and a molecular weight of 288.67 g/mol. Its IUPAC name is 2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene
PubChem CID82816483
Molecular FormulaC14H9ClF4
Molecular Weight288.67 g/mol
Exact Mass288.03
IUPAC Name2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene
SMILESCc1ccc(F)c(C(Cl)c2ccc(F)cc2F)c1F
InChIInChI=1S/C14H9ClF4/c1-7-2-5-10(17)12(14(7)19)13(15)9-4-3-8(16)6-11(9)18/h2-6,13H,1H3
InChIKeyYLHJVUMXLFXXEY-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.67
LogP ≤ 54.88
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-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
CID 82890318
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene
CID 63434008
1-chloro-2-[chloro-(2,6-difluoro-3-methylphenyl)methyl]-4,5-dimethylbenzene
CID 82816424
1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 79756723
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82816267
3-[chloro-(2,4-difluorophenyl)methyl]-2,5-dimethylfuran
CID 61084571
3-[chloro-(2,4-difluorophenyl)methyl]-4-methylthiophene
CID 79807495
1-(2-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82823128
2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82816333
1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429790
2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
CID 55198991

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene?
The IUPAC name of 2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene (CID 82816483) is 2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene.
What is the SMILES notation for 2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene?
The canonical SMILES for 2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene is Cc1ccc(F)c(C(Cl)c2ccc(F)cc2F)c1F.
What is the InChIKey of 2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene?
The InChIKey is YLHJVUMXLFXXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4/c1-7-2-5-10(17)12(14(7)19)13(15)9-4-3-8(16)6-11(9)18/h2-6,13H,1H3.
What are the key properties of 2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene?
2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene has a molecular weight of 288.67 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene is sourced from PubChem (CID 82816483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).