2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene

C8H4Cl2F4 — CID 11230374

IUPAC2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene
SMILESFc1ccc(C(F)(F)F)c(C(Cl)Cl)c1
InChIInChI=1S/C8H4Cl2F4/c9-7(10)5-3-4(11)1-2-6(5)8(12,13)14/h1-3,7H
InChIKeyOPIPZFYWPRCKCJ-UHFFFAOYSA-N
MW247.02 g/mol
LogP4.32
Rot. Bonds1

About 2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene

2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene (PubChem CID 11230374) has the molecular formula C8H4Cl2F4 and a molecular weight of 247.02 g/mol. Its IUPAC name is 2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene
PubChem CID11230374
Molecular FormulaC8H4Cl2F4
Molecular Weight247.02 g/mol
Exact Mass245.96
IUPAC Name2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene
SMILESFc1ccc(C(F)(F)F)c(C(Cl)Cl)c1
InChIInChI=1S/C8H4Cl2F4/c9-7(10)5-3-4(11)1-2-6(5)8(12,13)14/h1-3,7H
InChIKeyOPIPZFYWPRCKCJ-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.02
LogP ≤ 54.32
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

(1S,2R)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131490477
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131252530
2-[5-fluoro-2-(trifluoromethyl)phenyl]propanedioate
CID 154452747
(2S,3S)-3-amino-1,1,1-trifluoro-3-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 171269524
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171263834
(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021281
(1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313161
[1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropyl]hydrazine
CID 105257619
1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79016521
[(4-chlorophenyl)-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105257620
(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171228670
(S)-cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 171228691

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene?
The IUPAC name of 2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene (CID 11230374) is 2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene is Fc1ccc(C(F)(F)F)c(C(Cl)Cl)c1.
What is the InChIKey of 2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene?
The InChIKey is OPIPZFYWPRCKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F4/c9-7(10)5-3-4(11)1-2-6(5)8(12,13)14/h1-3,7H.
What are the key properties of 2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene?
2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene has a molecular weight of 247.02 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene is sourced from PubChem (CID 11230374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).