1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene

C8H2ClF7O — CID 171009079

IUPAC1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
SMILESFc1cc(Cl)c(C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C8H2ClF7O/c9-4-2-5(10)6(17-8(14,15)16)1-3(4)7(11,12)13/h1-2H
InChIKeyRSMWAWQLYFDDBW-UHFFFAOYSA-N
MW282.54 g/mol
LogP4.40
Rot. Bonds1

About 1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene

1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene (PubChem CID 171009079) has the molecular formula C8H2ClF7O and a molecular weight of 282.54 g/mol. Its IUPAC name is 1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
PubChem CID171009079
Molecular FormulaC8H2ClF7O
Molecular Weight282.54 g/mol
Exact Mass281.97
IUPAC Name1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
SMILESFc1cc(Cl)c(C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C8H2ClF7O/c9-4-2-5(10)6(17-8(14,15)16)1-3(4)7(11,12)13/h1-2H
InChIKeyRSMWAWQLYFDDBW-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.54
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-fluoro-2-iodo-5-(trifluoromethoxy)benzene
CID 171002272
1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171002131
1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 19102260
2,4-dichloro-5-(trifluoromethyl)benzenethiol
CID 121234788
[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 171009321
1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 171033015
4-chloro-3-(trifluoromethoxy)-5-(trifluoromethyl)aniline
CID 171035858
1-iodo-4-(trifluoromethoxy)-2,5-bis(trifluoromethyl)benzene
CID 118847326
1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene
CID 58919797
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576
5-chloro-2-fluoro-4-(trifluoromethyl)benzonitrile
CID 130779292
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
CID 98041876

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene (CID 171009079) is 1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene is Fc1cc(Cl)c(C(F)(F)F)cc1OC(F)(F)F.
What is the InChIKey of 1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The InChIKey is RSMWAWQLYFDDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF7O/c9-4-2-5(10)6(17-8(14,15)16)1-3(4)7(11,12)13/h1-2H.
What are the key properties of 1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene has a molecular weight of 282.54 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 171009079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).