1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene

C13H9Cl2F — CID 69293103

IUPAC1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene
SMILESFc1ccc(CCl)c(-c2ccccc2Cl)c1
InChIInChI=1S/C13H9Cl2F/c14-8-9-5-6-10(16)7-12(9)11-3-1-2-4-13(11)15/h1-7H,8H2
InChIKeyKOPIIBCTBCFTMP-UHFFFAOYSA-N
MW255.12 g/mol
LogP4.88
Rot. Bonds2

About 1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene

1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene (PubChem CID 69293103) has the molecular formula C13H9Cl2F and a molecular weight of 255.12 g/mol. Its IUPAC name is 1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene
PubChem CID69293103
Molecular FormulaC13H9Cl2F
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene
SMILESFc1ccc(CCl)c(-c2ccccc2Cl)c1
InChIInChI=1S/C13H9Cl2F/c14-8-9-5-6-10(16)7-12(9)11-3-1-2-4-13(11)15/h1-7H,8H2
InChIKeyKOPIIBCTBCFTMP-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
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

P,P'-ddd
CID 6294
Mitotane
CID 4211
O,P'-Ddt
CID 13089
O,P'-Dde
CID 246598
2-Chlorobiphenyl
CID 249266
2,2',5-Trichlorobiphenyl
CID 37803
2,2',6,6'-Tetrachlorobiphenyl
CID 27588
3,3'-Dichlorobiphenyl
CID 16307
2,2'-Dichlorobiphenyl
CID 25622
2,4'-Dichlorobiphenyl
CID 36982
2,4,4'-Trichlorobiphenyl
CID 23448
p,p'-DDMS
CID 17532

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene?
The IUPAC name of 1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene (CID 69293103) is 1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene.
What is the SMILES notation for 1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene?
The canonical SMILES for 1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene is Fc1ccc(CCl)c(-c2ccccc2Cl)c1.
What is the InChIKey of 1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene?
The InChIKey is KOPIIBCTBCFTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F/c14-8-9-5-6-10(16)7-12(9)11-3-1-2-4-13(11)15/h1-7H,8H2.
What are the key properties of 1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene?
1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene has a molecular weight of 255.12 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 1-(chloromethyl)-2-(2-chlorophenyl)-4-fluorobenzene is sourced from PubChem (CID 69293103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).