2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene

C14H9ClF4 — CID 46313326

IUPAC2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene
SMILESFc1ccc(-c2ccc(C(F)(F)F)cc2CCl)cc1
InChIInChI=1S/C14H9ClF4/c15-8-10-7-11(14(17,18)19)3-6-13(10)9-1-4-12(16)5-2-9/h1-7H,8H2
InChIKeyZUJSJUHZHRHZRI-UHFFFAOYSA-N
MW288.67 g/mol
LogP5.25
Rot. Bonds2

About 2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene

2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene (PubChem CID 46313326) has the molecular formula C14H9ClF4 and a molecular weight of 288.67 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene
PubChem CID46313326
Molecular FormulaC14H9ClF4
Molecular Weight288.67 g/mol
Exact Mass288.03
IUPAC Name2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene
SMILESFc1ccc(-c2ccc(C(F)(F)F)cc2CCl)cc1
InChIInChI=1S/C14H9ClF4/c15-8-10-7-11(14(17,18)19)3-6-13(10)9-1-4-12(16)5-2-9/h1-7H,8H2
InChIKeyZUJSJUHZHRHZRI-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.67
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-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134627746
2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene
CID 134619859
2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 11630778
2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
CID 19702469
2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 159169161
[2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 118807199
2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619724
2-(4-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648600
2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619443
3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine
CID 142779110
2-(chloromethyl)-4-methyl-1-(4-methylphenyl)benzene;ethane
CID 178006479
5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline
CID 118801806

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene (CID 46313326) is 2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene is Fc1ccc(-c2ccc(C(F)(F)F)cc2CCl)cc1.
What is the InChIKey of 2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene?
The InChIKey is ZUJSJUHZHRHZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4/c15-8-10-7-11(14(17,18)19)3-6-13(10)9-1-4-12(16)5-2-9/h1-7H,8H2.
What are the key properties of 2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene?
2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene has a molecular weight of 288.67 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 2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 46313326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).