1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride

C8H5F7 — CID 174776412

IUPAC1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride
SMILESF.Fc1c(C(F)F)cccc1C(F)(F)F
InChIInChI=1S/C8H4F6.FH/c9-6-4(7(10)11)2-1-3-5(6)8(12,13)14;/h1-3,7H;1H
InChIKeyWCOGMAWPZSIRQU-UHFFFAOYSA-N
MW234.11 g/mol
LogP3.93
Rot. Bonds1

About 1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride

1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride (PubChem CID 174776412) has the molecular formula C8H5F7 and a molecular weight of 234.11 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride.

Molecular Properties

Compound Name1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride
PubChem CID174776412
Molecular FormulaC8H5F7
Molecular Weight234.11 g/mol
Exact Mass234.03
IUPAC Name1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride
SMILESF.Fc1c(C(F)F)cccc1C(F)(F)F
InChIInChI=1S/C8H4F6.FH/c9-6-4(7(10)11)2-1-3-5(6)8(12,13)14;/h1-3,7H;1H
InChIKeyWCOGMAWPZSIRQU-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.11
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride?
The IUPAC name of 1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride (CID 174776412) is 1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride.
What is the SMILES notation for 1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride?
The canonical SMILES for 1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride is F.Fc1c(C(F)F)cccc1C(F)(F)F.
What is the InChIKey of 1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride?
The InChIKey is WCOGMAWPZSIRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6.FH/c9-6-4(7(10)11)2-1-3-5(6)8(12,13)14;/h1-3,7H;1H.
What are the key properties of 1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride?
1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride has a molecular weight of 234.11 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride is sourced from PubChem (CID 174776412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).