2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene

C8H3ClF6 — CID 171009202

IUPAC2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)cc(C(F)F)c1Cl
InChIInChI=1S/C8H3ClF6/c9-6-4(7(11)12)1-3(2-5(6)10)8(13,14)15/h1-2,7H
InChIKeyHVKMHLCEAYVWJU-UHFFFAOYSA-N
MW248.55 g/mol
LogP4.44
Rot. Bonds1

About 2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene

2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene (PubChem CID 171009202) has the molecular formula C8H3ClF6 and a molecular weight of 248.55 g/mol. Its IUPAC name is 2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene
PubChem CID171009202
Molecular FormulaC8H3ClF6
Molecular Weight248.55 g/mol
Exact Mass247.98
IUPAC Name2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)cc(C(F)F)c1Cl
InChIInChI=1S/C8H3ClF6/c9-6-4(7(11)12)1-3(2-5(6)10)8(13,14)15/h1-2,7H
InChIKeyHVKMHLCEAYVWJU-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
1,2,3-trichloro-5-(trifluoromethyl)benzene;1,2,3-trifluoro-5-(trifluoromethyl)benzene
CID 157268578
2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene
CID 2778983
2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118995680
2-chloro-3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine
CID 130071827
3,4-dichloro-5-(difluoromethyl)-2-fluoropyridine
CID 130099211
(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171209181
1-bromo-3-(difluoromethyl)-2-nitro-5-(trifluoromethyl)benzene
CID 171002759
(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512258
1-[2-(difluoromethyl)-6-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 171032659
2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 119003399
1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene
CID 171009081

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene (CID 171009202) is 2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene is Fc1cc(C(F)(F)F)cc(C(F)F)c1Cl.
What is the InChIKey of 2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene?
The InChIKey is HVKMHLCEAYVWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF6/c9-6-4(7(11)12)1-3(2-5(6)10)8(13,14)15/h1-2,7H.
What are the key properties of 2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene?
2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene has a molecular weight of 248.55 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene is sourced from PubChem (CID 171009202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).