3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene

C9H3ClF8O2 — CID 171007850

IUPAC3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
SMILESFC(F)Oc1ccc(OC(F)(F)F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C9H3ClF8O2/c10-6-4(20-9(16,17)18)2-1-3(19-7(11)12)5(6)8(13,14)15/h1-2,7H
InChIKeyGJLHPUOYYNMYOZ-UHFFFAOYSA-N
MW330.56 g/mol
LogP4.86
Rot. Bonds3

About 3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene

3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene (PubChem CID 171007850) has the molecular formula C9H3ClF8O2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
PubChem CID171007850
Molecular FormulaC9H3ClF8O2
Molecular Weight330.56 g/mol
Exact Mass329.97
IUPAC Name3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
SMILESFC(F)Oc1ccc(OC(F)(F)F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C9H3ClF8O2/c10-6-4(20-9(16,17)18)2-1-3(19-7(11)12)5(6)8(13,14)15/h1-2,7H
InChIKeyGJLHPUOYYNMYOZ-UHFFFAOYSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene
CID 134638325
1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 118837715
1-chloro-4-(difluoromethoxy)-2-nitro-3-(trifluoromethyl)benzene
CID 171007606
1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene
CID 170998457
1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene
CID 134625765
2,3-dichloro-4-(trifluoromethoxy)phenol
CID 119023608
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene
CID 46311607
1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene
CID 135742735
3-(difluoromethoxy)-4-(trifluoromethoxy)benzonitrile
CID 121228509
[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine
CID 170998587
1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene
CID 171003163

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene (CID 171007850) is 3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene is FC(F)Oc1ccc(OC(F)(F)F)c(Cl)c1C(F)(F)F.
What is the InChIKey of 3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The InChIKey is GJLHPUOYYNMYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClF8O2/c10-6-4(20-9(16,17)18)2-1-3(19-7(11)12)5(6)8(13,14)15/h1-2,7H.
What are the key properties of 3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene has a molecular weight of 330.56 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 171007850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).