2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid

C8H3F6NO2 — CID 118559736

IUPAC2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)C(F)(F)c1ncc(C(F)(F)F)cc1F
InChIInChI=1S/C8H3F6NO2/c9-4-1-3(8(12,13)14)2-15-5(4)7(10,11)6(16)17/h1-2H,(H,16,17)
InChIKeyZVEPSOIADHQCFD-UHFFFAOYSA-N
MW259.11 g/mol
LogP2.42
Rot. Bonds2

About 2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid

2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 118559736) has the molecular formula C8H3F6NO2 and a molecular weight of 259.11 g/mol. Its IUPAC name is 2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID118559736
Molecular FormulaC8H3F6NO2
Molecular Weight259.11 g/mol
Exact Mass259.01
IUPAC Name2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)C(F)(F)c1ncc(C(F)(F)F)cc1F
InChIInChI=1S/C8H3F6NO2/c9-4-1-3(8(12,13)14)2-15-5(4)7(10,11)6(16)17/h1-2H,(H,16,17)
InChIKeyZVEPSOIADHQCFD-UHFFFAOYSA-N
XLogP2.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467
3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 66545196
2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid
CID 170918339
3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid
CID 67467045
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182
2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 151780532
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine
CID 155296746
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130098534
3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine
CID 165350362
tert-butyl N-[2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-N-piperidin-4-ylcarbamate
CID 118559711
2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118830660

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 118559736) is 2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid is O=C(O)C(F)(F)c1ncc(C(F)(F)F)cc1F.
What is the InChIKey of 2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is ZVEPSOIADHQCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO2/c9-4-1-3(8(12,13)14)2-15-5(4)7(10,11)6(16)17/h1-2H,(H,16,17).
What are the key properties of 2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 259.11 g/mol, XLogP of 2.42, 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-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 118559736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).