1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene

C14H10Cl2F2 — CID 82890318

IUPAC1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
SMILESCc1ccc(Cl)cc1C(Cl)c1ccc(F)cc1F
InChIInChI=1S/C14H10Cl2F2/c1-8-2-3-9(15)6-12(8)14(16)11-5-4-10(17)7-13(11)18/h2-7,14H,1H3
InChIKeyZTEVKUFDUSHKQF-UHFFFAOYSA-N
MW287.14 g/mol
LogP5.25
Rot. Bonds2

About 1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene

1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene (PubChem CID 82890318) has the molecular formula C14H10Cl2F2 and a molecular weight of 287.14 g/mol. Its IUPAC name is 1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
PubChem CID82890318
Molecular FormulaC14H10Cl2F2
Molecular Weight287.14 g/mol
Exact Mass286.01
IUPAC Name1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
SMILESCc1ccc(Cl)cc1C(Cl)c1ccc(F)cc1F
InChIInChI=1S/C14H10Cl2F2/c1-8-2-3-9(15)6-12(8)14(16)11-5-4-10(17)7-13(11)18/h2-7,14H,1H3
InChIKeyZTEVKUFDUSHKQF-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.14
LogP ≤ 55.25
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

2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
CID 55198991
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene
CID 114030828
2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82816483
1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene
CID 63434008
3-[chloro-(2,4-difluorophenyl)methyl]-4-methylthiophene
CID 79807495
4-chloro-2-(difluoromethyl)-1-methylbenzene;1-(difluoromethyl)-4-fluoro-2-methylbenzene;ethane
CID 143887999
1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 79756723
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene
CID 63431490
4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 82891392

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene?
The IUPAC name of 1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene (CID 82890318) is 1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene is Cc1ccc(Cl)cc1C(Cl)c1ccc(F)cc1F.
What is the InChIKey of 1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene?
The InChIKey is ZTEVKUFDUSHKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2/c1-8-2-3-9(15)6-12(8)14(16)11-5-4-10(17)7-13(11)18/h2-7,14H,1H3.
What are the key properties of 1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene?
1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene has a molecular weight of 287.14 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene is sourced from PubChem (CID 82890318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).