3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide

C10H5F9N2O — CID 71672608

IUPAC3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide
SMILESO=C(Nc1ccccn1)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F9N2O/c11-8(12,13)7(9(14,15)16,10(17,18)19)6(22)21-5-3-1-2-4-20-5/h1-4H,(H,20,21,22)
InChIKeyJELNWCXHGWWAJS-UHFFFAOYSA-N
MW340.15 g/mol
LogP3.69
Rot. Bonds2

About 3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide

3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide (PubChem CID 71672608) has the molecular formula C10H5F9N2O and a molecular weight of 340.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide
PubChem CID71672608
Molecular FormulaC10H5F9N2O
Molecular Weight340.15 g/mol
Exact Mass340.03
IUPAC Name3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide
SMILESO=C(Nc1ccccn1)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F9N2O/c11-8(12,13)7(9(14,15)16,10(17,18)19)6(22)21-5-3-1-2-4-20-5/h1-4H,(H,20,21,22)
InChIKeyJELNWCXHGWWAJS-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-2-methyl-N-pyridin-2-ylpropanamide
CID 60778942
methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate
CID 115174756
N-pyridin-2-yl-2-(trifluoromethylsulfanyl)acetamide
CID 2319940
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
pyridine;N-pyridin-2-ylacetamide
CID 67298573
N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine
CID 101033012
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
(Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one
CID 7084676
N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
CID 108525928
N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide
CID 17392220
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pyridin-2-ylbutanamide
CID 94798928
N-(2-acetamidoethyl)-N'-pyridin-2-yloxamide
CID 108525945

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide (CID 71672608) is 3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide is O=C(Nc1ccccn1)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide?
The InChIKey is JELNWCXHGWWAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F9N2O/c11-8(12,13)7(9(14,15)16,10(17,18)19)6(22)21-5-3-1-2-4-20-5/h1-4H,(H,20,21,22).
What are the key properties of 3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide has a molecular weight of 340.15 g/mol, XLogP of 3.69, 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-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide is sourced from PubChem (CID 71672608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).