2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid

C8H4F5NO2 — CID 151780532

IUPAC2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)C(F)(F)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H4F5NO2/c9-7(10,6(15)16)4-1-2-5(14-3-4)8(11,12)13/h1-3H,(H,15,16)
InChIKeyRUMLYLXOWBNOPP-UHFFFAOYSA-N
MW241.11 g/mol
LogP2.28
Rot. Bonds2

About 2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid

2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 151780532) has the molecular formula C8H4F5NO2 and a molecular weight of 241.11 g/mol. Its IUPAC name is 2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
PubChem CID151780532
Molecular FormulaC8H4F5NO2
Molecular Weight241.11 g/mol
Exact Mass241.02
IUPAC Name2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)C(F)(F)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H4F5NO2/c9-7(10,6(15)16)4-1-2-5(14-3-4)8(11,12)13/h1-3H,(H,15,16)
InChIKeyRUMLYLXOWBNOPP-UHFFFAOYSA-N
XLogP2.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655
acetic acid;6-(trifluoromethyl)pyridin-3-ol
CID 162333498
2,2-difluoro-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 162738078
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 2783389
5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine
CID 146230452
2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 170824360
(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 122703513
2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
[6-(trifluoromethyl)-3-pyridinyl] carbamate
CID 69179111
2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118559736

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid (CID 151780532) is 2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid is O=C(O)C(F)(F)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is RUMLYLXOWBNOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO2/c9-7(10,6(15)16)4-1-2-5(14-3-4)8(11,12)13/h1-3H,(H,15,16).
What are the key properties of 2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid?
2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid has a molecular weight of 241.11 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 151780532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).