1,3-difluoro-2-(trichloromethyl)benzene

C7H3Cl3F2 — CID 607009

IUPAC1,3-difluoro-2-(trichloromethyl)benzene
SMILESFc1cccc(F)c1C(Cl)(Cl)Cl
InChIInChI=1S/C7H3Cl3F2/c8-7(9,10)6-4(11)2-1-3-5(6)12/h1-3H
InChIKeyYGARWFJIRLUUNE-UHFFFAOYSA-N
MW231.46 g/mol
LogP3.79
Rot. Bonds

About 1,3-difluoro-2-(trichloromethyl)benzene

1,3-difluoro-2-(trichloromethyl)benzene (PubChem CID 607009) has the molecular formula C7H3Cl3F2 and a molecular weight of 231.46 g/mol. Its IUPAC name is 1,3-difluoro-2-(trichloromethyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-2-(trichloromethyl)benzene
PubChem CID607009
Molecular FormulaC7H3Cl3F2
Molecular Weight231.46 g/mol
Exact Mass229.93
IUPAC Name1,3-difluoro-2-(trichloromethyl)benzene
SMILESFc1cccc(F)c1C(Cl)(Cl)Cl
InChIInChI=1S/C7H3Cl3F2/c8-7(9,10)6-4(11)2-1-3-5(6)12/h1-3H
InChIKeyYGARWFJIRLUUNE-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.46
LogP ≤ 53.79
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

1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene
CID 168948597
1-chloro-2,3-difluorobenzene
CID 157449386
2,2,2-trichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 146009003
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
1,2,3-trifluorobenzene
CID 15147
1,3-dichloro-2-[chloro(difluoro)methyl]benzene
CID 174643582
1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene
CID 46314542
(2,6-difluorophenyl)-diphenylmethanol
CID 71567877
ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene
CID 143902908
3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol
CID 82471989
2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine
CID 63515341
2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 62596396

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(trichloromethyl)benzene?
The IUPAC name of 1,3-difluoro-2-(trichloromethyl)benzene (CID 607009) is 1,3-difluoro-2-(trichloromethyl)benzene.
What is the SMILES notation for 1,3-difluoro-2-(trichloromethyl)benzene?
The canonical SMILES for 1,3-difluoro-2-(trichloromethyl)benzene is Fc1cccc(F)c1C(Cl)(Cl)Cl.
What is the InChIKey of 1,3-difluoro-2-(trichloromethyl)benzene?
The InChIKey is YGARWFJIRLUUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3F2/c8-7(9,10)6-4(11)2-1-3-5(6)12/h1-3H.
What are the key properties of 1,3-difluoro-2-(trichloromethyl)benzene?
1,3-difluoro-2-(trichloromethyl)benzene has a molecular weight of 231.46 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(trichloromethyl)benzene is sourced from PubChem (CID 607009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).