1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene

C8H2Cl2F6O — CID 19102260

IUPAC1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)Oc1c(Cl)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H2Cl2F6O/c9-3-1-4(7(11,12)13)6(5(10)2-3)17-8(14,15)16/h1-2H
InChIKeyTVNDAXLYVULMEH-UHFFFAOYSA-N
MW299.00 g/mol
LogP4.91
Rot. Bonds1

About 1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene

1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene (PubChem CID 19102260) has the molecular formula C8H2Cl2F6O and a molecular weight of 299.00 g/mol. Its IUPAC name is 1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene
PubChem CID19102260
Molecular FormulaC8H2Cl2F6O
Molecular Weight299.00 g/mol
Exact Mass297.94
IUPAC Name1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)Oc1c(Cl)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H2Cl2F6O/c9-3-1-4(7(11,12)13)6(5(10)2-3)17-8(14,15)16/h1-2H
InChIKeyTVNDAXLYVULMEH-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.00
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2,4-dichloro-6-(trifluoromethyl)phenoxy]aniline
CID 71391087
5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
CID 171001774
1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171009079
3-chloro-5-fluoro-2-(trifluoromethoxy)aniline
CID 130792876
1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene
CID 118852875
4-chloro-3-(trifluoromethoxy)-5-(trifluoromethyl)aniline
CID 171035858
4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130093802
5-amino-3-chloro-2-(trifluoromethoxy)phenol
CID 130820581
3-chloro-4-methoxy-5-(trifluoromethyl)aniline
CID 131188893
4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine
CID 130093745
5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene
CID 119001959
1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 84707984

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene?
The IUPAC name of 1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene (CID 19102260) is 1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene is FC(F)(F)Oc1c(Cl)cc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene?
The InChIKey is TVNDAXLYVULMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2F6O/c9-3-1-4(7(11,12)13)6(5(10)2-3)17-8(14,15)16/h1-2H.
What are the key properties of 1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene?
1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene has a molecular weight of 299.00 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 19102260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).