1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene

C14H10ClF3 — CID 63434008

IUPAC1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene
SMILESCc1ccc(C(Cl)c2ccc(F)cc2F)cc1F
InChIInChI=1S/C14H10ClF3/c1-8-2-3-9(6-12(8)17)14(15)11-5-4-10(16)7-13(11)18/h2-7,14H,1H3
InChIKeyXKNPABCMDIBLQG-UHFFFAOYSA-N
MW270.68 g/mol
LogP4.74
Rot. Bonds2

About 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene

1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene (PubChem CID 63434008) has the molecular formula C14H10ClF3 and a molecular weight of 270.68 g/mol. Its IUPAC name is 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene
PubChem CID63434008
Molecular FormulaC14H10ClF3
Molecular Weight270.68 g/mol
Exact Mass270.04
IUPAC Name1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene
SMILESCc1ccc(C(Cl)c2ccc(F)cc2F)cc1F
InChIInChI=1S/C14H10ClF3/c1-8-2-3-9(6-12(8)17)14(15)11-5-4-10(16)7-13(11)18/h2-7,14H,1H3
InChIKeyXKNPABCMDIBLQG-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 54.74
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

2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene
CID 63431490
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
CID 82890318
2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82816483
1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62865699
3-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylthiophene
CID 63432001
1-[(4-butan-2-ylphenyl)-chloromethyl]-2,4-difluorobenzene
CID 63430296
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
2,4-difluoro-1-methylbenzene;hydrobromide
CID 174767043
3-[chloro-(2,4-difluorophenyl)methyl]-4-methylthiophene
CID 79807495
1-chloro-2-[chloro-(3-chloro-4-methylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050182
1-[(3-bromophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433564

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene?
The IUPAC name of 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene (CID 63434008) is 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene is Cc1ccc(C(Cl)c2ccc(F)cc2F)cc1F.
What is the InChIKey of 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene?
The InChIKey is XKNPABCMDIBLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3/c1-8-2-3-9(6-12(8)17)14(15)11-5-4-10(16)7-13(11)18/h2-7,14H,1H3.
What are the key properties of 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene?
1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene has a molecular weight of 270.68 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene is sourced from PubChem (CID 63434008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).