1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene

C8H3ClF6O — CID 170999624

IUPAC1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)Oc1cccc(Cl)c1C(F)(F)F
InChIInChI=1S/C8H3ClF6O/c9-4-2-1-3-5(16-8(13,14)15)6(4)7(10,11)12/h1-3H
InChIKeyOKKWHALEWFZZGI-UHFFFAOYSA-N
MW264.55 g/mol
LogP4.26
Rot. Bonds1

About 1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene

1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene (PubChem CID 170999624) has the molecular formula C8H3ClF6O and a molecular weight of 264.55 g/mol. Its IUPAC name is 1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
PubChem CID170999624
Molecular FormulaC8H3ClF6O
Molecular Weight264.55 g/mol
Exact Mass263.98
IUPAC Name1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)Oc1cccc(Cl)c1C(F)(F)F
InChIInChI=1S/C8H3ClF6O/c9-4-2-1-3-5(16-8(13,14)15)6(4)7(10,11)12/h1-3H
InChIKeyOKKWHALEWFZZGI-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene
CID 134625765
2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 65467198
1-chloro-2-(nitromethyl)-3-(trifluoromethoxy)benzene
CID 54360006
[2-chloro-6-(trifluoromethoxy)phenyl]thiourea
CID 169357426
2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993965
1,3-dichloro-2-[chloro(difluoro)methyl]benzene
CID 174643582
2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339103
1,8-bis(trifluoromethoxy)naphthalene
CID 118813409
3-chloro-2-(trifluoromethoxy)phenol
CID 67274818
1-chloro-3-ethyl-2-(trifluoromethyl)benzene
CID 71072896
2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
CID 118333609

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene (CID 170999624) is 1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene is FC(F)(F)Oc1cccc(Cl)c1C(F)(F)F.
What is the InChIKey of 1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The InChIKey is OKKWHALEWFZZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF6O/c9-4-2-1-3-5(16-8(13,14)15)6(4)7(10,11)12/h1-3H.
What are the key properties of 1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene has a molecular weight of 264.55 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 170999624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).