1,3-dichloro-2-[chloro(difluoro)methyl]benzene

C7H3Cl3F2 — CID 174643582

IUPAC1,3-dichloro-2-[chloro(difluoro)methyl]benzene
SMILESFC(F)(Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C7H3Cl3F2/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
InChIKeyGVKNGVHFOSJDNU-UHFFFAOYSA-N
MW231.46 g/mol
LogP4.28
Rot. Bonds1

About 1,3-dichloro-2-[chloro(difluoro)methyl]benzene

1,3-dichloro-2-[chloro(difluoro)methyl]benzene (PubChem CID 174643582) has the molecular formula C7H3Cl3F2 and a molecular weight of 231.46 g/mol. Its IUPAC name is 1,3-dichloro-2-[chloro(difluoro)methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[chloro(difluoro)methyl]benzene
PubChem CID174643582
Molecular FormulaC7H3Cl3F2
Molecular Weight231.46 g/mol
Exact Mass229.93
IUPAC Name1,3-dichloro-2-[chloro(difluoro)methyl]benzene
SMILESFC(F)(Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C7H3Cl3F2/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
InChIKeyGVKNGVHFOSJDNU-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.46
LogP ≤ 54.28
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-chloro-3-ethyl-2-(trifluoromethyl)benzene
CID 71072896
2-(2,6-dichlorophenyl)propane-2-thiol
CID 146376660
3-chloro-N,N-dimethyl-2-(trifluoromethyl)aniline
CID 67610403
3-chloro-N-methyl-2-(trifluoromethyl)aniline
CID 67814646
1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 170999624
1-(2,6-dichlorophenyl)ethane-1,1-diol
CID 145115898
3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride
CID 165461269
1-[3-chloro-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene
CID 134625874
1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride
CID 175251284
1-chloro-3-nitro-2-(trifluoromethyl)benzene
CID 11075091
1,3-difluoro-2-(trichloromethyl)benzene
CID 607009
3-chloro-2-(2-fluoropropan-2-yl)benzoic acid
CID 84682261

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[chloro(difluoro)methyl]benzene?
The IUPAC name of 1,3-dichloro-2-[chloro(difluoro)methyl]benzene (CID 174643582) is 1,3-dichloro-2-[chloro(difluoro)methyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[chloro(difluoro)methyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[chloro(difluoro)methyl]benzene is FC(F)(Cl)c1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-[chloro(difluoro)methyl]benzene?
The InChIKey is GVKNGVHFOSJDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3F2/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H.
What are the key properties of 1,3-dichloro-2-[chloro(difluoro)methyl]benzene?
1,3-dichloro-2-[chloro(difluoro)methyl]benzene has a molecular weight of 231.46 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[chloro(difluoro)methyl]benzene is sourced from PubChem (CID 174643582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).