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

C8H3ClF6 — CID 171009081

IUPAC1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene
SMILESFc1cc(Cl)c(C(F)(F)F)c(C(F)F)c1
InChIInChI=1S/C8H3ClF6/c9-5-2-3(10)1-4(7(11)12)6(5)8(13,14)15/h1-2,7H
InChIKeyUVEIAGVWFNTTHN-UHFFFAOYSA-N
MW248.55 g/mol
LogP4.44
Rot. Bonds1

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

1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene (PubChem CID 171009081) has the molecular formula C8H3ClF6 and a molecular weight of 248.55 g/mol. Its IUPAC name is 1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene
PubChem CID171009081
Molecular FormulaC8H3ClF6
Molecular Weight248.55 g/mol
Exact Mass247.98
IUPAC Name1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene
SMILESFc1cc(Cl)c(C(F)(F)F)c(C(F)F)c1
InChIInChI=1S/C8H3ClF6/c9-5-2-3(10)1-4(7(11)12)6(5)8(13,14)15/h1-2,7H
InChIKeyUVEIAGVWFNTTHN-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-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene
CID 171003163
2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene
CID 171033276
1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene
CID 155380246
2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine
CID 130109578
2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene
CID 130803877
1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene
CID 119018682
6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine
CID 130073839
2,6-dichloro-4-fluorobenzenethiol
CID 50998605
2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene
CID 171009202
4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800366
2-chloro-4-(difluoromethyl)-5-(trifluoromethyl)aniline
CID 118993786
1-bromo-2-chloro-4-(difluoromethyl)-3-(trifluoromethyl)benzene
CID 171001498

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene (CID 171009081) is 1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene is Fc1cc(Cl)c(C(F)(F)F)c(C(F)F)c1.
What is the InChIKey of 1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is UVEIAGVWFNTTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF6/c9-5-2-3(10)1-4(7(11)12)6(5)8(13,14)15/h1-2,7H.
What are the key properties of 1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene?
1-chloro-3-(difluoromethyl)-5-fluoro-2-(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 1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 171009081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).