3,3,3-trifluoro-2-pyridin-2-ylpropanamide

C8H7F3N2O — CID 174447442

IUPAC3,3,3-trifluoro-2-pyridin-2-ylpropanamide
SMILESNC(=O)C(c1ccccn1)C(F)(F)F
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)6(7(12)14)5-3-1-2-4-13-5/h1-4,6H,(H2,12,14)
InChIKeyMKJBYHJMQBIKQU-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.21
Rot. Bonds2

About 3,3,3-trifluoro-2-pyridin-2-ylpropanamide

3,3,3-trifluoro-2-pyridin-2-ylpropanamide (PubChem CID 174447442) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-pyridin-2-ylpropanamide
PubChem CID174447442
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name3,3,3-trifluoro-2-pyridin-2-ylpropanamide
SMILESNC(=O)C(c1ccccn1)C(F)(F)F
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)6(7(12)14)5-3-1-2-4-13-5/h1-4,6H,(H2,12,14)
InChIKeyMKJBYHJMQBIKQU-UHFFFAOYSA-N
XLogP1.21
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 25219911
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575
4,4,4-trifluoro-3-pyridin-2-ylbutanoic acid
CID 82534716
2-(methylamino)-2-pyridin-2-ylacetamide
CID 82111263
(2,2,2-trifluoro-1-pyridin-2-ylethyl)azanide
CID 154488282
N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide
CID 102416830
2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide
CID 88549065
2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine
CID 176830597
2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one
CID 164672038
2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride
CID 21151060
2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
CID 166470570
1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol
CID 176556814

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-pyridin-2-ylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-pyridin-2-ylpropanamide (CID 174447442) is 3,3,3-trifluoro-2-pyridin-2-ylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-pyridin-2-ylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-pyridin-2-ylpropanamide is NC(=O)C(c1ccccn1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-pyridin-2-ylpropanamide?
The InChIKey is MKJBYHJMQBIKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)6(7(12)14)5-3-1-2-4-13-5/h1-4,6H,(H2,12,14).
What are the key properties of 3,3,3-trifluoro-2-pyridin-2-ylpropanamide?
3,3,3-trifluoro-2-pyridin-2-ylpropanamide has a molecular weight of 204.15 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-pyridin-2-ylpropanamide is sourced from PubChem (CID 174447442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).