(Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one

C10H9F3N2O — CID 7084676

IUPAC(Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one
SMILESC/C(=C/C(=O)C(F)(F)F)Nc1ccccn1
InChIInChI=1S/C10H9F3N2O/c1-7(6-8(16)10(11,12)13)15-9-4-2-3-5-14-9/h2-6H,1H3,(H,14,15)/b7-6-
InChIKeyJSLJKBSJTRVYDI-SREVYHEPSA-N
MW230.19 g/mol
LogP2.53
Rot. Bonds3

About (Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one

(Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one (PubChem CID 7084676) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one
PubChem CID7084676
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name(Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one
SMILESC/C(=C/C(=O)C(F)(F)F)Nc1ccccn1
InChIInChI=1S/C10H9F3N2O/c1-7(6-8(16)10(11,12)13)15-9-4-2-3-5-14-9/h2-6H,1H3,(H,14,15)/b7-6-
InChIKeyJSLJKBSJTRVYDI-SREVYHEPSA-N
XLogP2.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(dimethylamino)-1,1,1-trifluoro-4-(pyridin-2-ylamino)hexa-3,5-dien-2-one
CID 3850576
N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide
CID 74689752
methyl 2-[[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]pyridine-3-carboxylate
CID 11673668
3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide
CID 71672608
pyridine;N-pyridin-2-ylacetamide
CID 67298573
(Z)-1,1,1-trifluoro-4-hydroxy-4-pyridin-2-ylbut-3-en-2-one
CID 6917131
(Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide
CID 134096374
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
2-cyano-2-methyl-N-pyridin-2-ylpropanamide
CID 60778942
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
N-pyridin-2-yl-2-(trifluoromethylsulfanyl)acetamide
CID 2319940

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one?
The IUPAC name of (Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one (CID 7084676) is (Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one is C/C(=C/C(=O)C(F)(F)F)Nc1ccccn1.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one?
The InChIKey is JSLJKBSJTRVYDI-SREVYHEPSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-7(6-8(16)10(11,12)13)15-9-4-2-3-5-14-9/h2-6H,1H3,(H,14,15)/b7-6-.
What are the key properties of (Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one?
(Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one has a molecular weight of 230.19 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one is sourced from PubChem (CID 7084676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).