4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene

C8H4F6O — CID 71669364

IUPAC4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(OC(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H4F6O/c9-6-2-1-4(15-7(10)11)3-5(6)8(12,13)14/h1-3,7H
InChIKeyJVWSNZXDZBVNKO-UHFFFAOYSA-N
MW230.11 g/mol
LogP3.45
Rot. Bonds2

About 4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene

4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene (PubChem CID 71669364) has the molecular formula C8H4F6O and a molecular weight of 230.11 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
PubChem CID71669364
Molecular FormulaC8H4F6O
Molecular Weight230.11 g/mol
Exact Mass230.02
IUPAC Name4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(OC(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H4F6O/c9-6-2-1-4(15-7(10)11)3-5(6)8(12,13)14/h1-3,7H
InChIKeyJVWSNZXDZBVNKO-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene
CID 134628110
[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroacetate
CID 118593314
2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoyl chloride
CID 14391759
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-oxobutanoic acid
CID 156827583
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 102747422
ethyl (2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoate
CID 168869982
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 102747539
3-[1-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 102746962
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine
CID 102747392
2-chloro-1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619683
4-(difluoromethoxy)-2-nitro-1-(trifluoromethyl)benzene
CID 71669510
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid
CID 102746826

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene (CID 71669364) is 4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene is Fc1ccc(OC(F)F)cc1C(F)(F)F.
What is the InChIKey of 4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is JVWSNZXDZBVNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6O/c9-6-2-1-4(15-7(10)11)3-5(6)8(12,13)14/h1-3,7H.
What are the key properties of 4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene?
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene has a molecular weight of 230.11 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 71669364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).