1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one

C9H6F3NO — CID 60643629

IUPAC1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one
SMILESC#CCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H6F3NO/c1-2-5-13-6-7(9(10,11)12)3-4-8(13)14/h1,3-4,6H,5H2
InChIKeyVZFPKBWCBRUCLY-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.50
Rot. Bonds1

About 1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one

1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 60643629) has the molecular formula C9H6F3NO and a molecular weight of 201.15 g/mol. Its IUPAC name is 1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID60643629
Molecular FormulaC9H6F3NO
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one
SMILESC#CCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H6F3NO/c1-2-5-13-6-7(9(10,11)12)3-4-8(13)14/h1,3-4,6H,5H2
InChIKeyVZFPKBWCBRUCLY-UHFFFAOYSA-N
XLogP1.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one (CID 60643629) is 1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one is C#CCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is VZFPKBWCBRUCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO/c1-2-5-13-6-7(9(10,11)12)3-4-8(13)14/h1,3-4,6H,5H2.
What are the key properties of 1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one?
1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 201.15 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 60643629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).