3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide

C9H12F3NO — CID 78971073

IUPAC3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide
SMILESC#CCN(CCC)C(=O)CC(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-3-5-13(6-4-2)8(14)7-9(10,11)12/h1H,4-7H2,2H3
InChIKeyDVYZYEQDBBYLCY-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.81
Rot. Bonds4

About 3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide

3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide (PubChem CID 78971073) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide
PubChem CID78971073
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide
SMILESC#CCN(CCC)C(=O)CC(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-3-5-13(6-4-2)8(14)7-9(10,11)12/h1H,4-7H2,2H3
InChIKeyDVYZYEQDBBYLCY-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78970529
3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide
CID 78952265
methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 55208202
4-ethoxy-N-propyl-N-prop-2-ynylbutanamide
CID 78970496
2,2-dichloro-N-propyl-N-prop-2-ynylacetamide
CID 13324355
N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide
CID 107033460
N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 78969952
3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide
CID 61235446
N-propyl-N-prop-2-ynylcycloheptanecarboxamide
CID 78917353
2-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzoic acid
CID 113431534
2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide
CID 80719183
N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide
CID 78992297

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide (CID 78971073) is 3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide is C#CCN(CCC)C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide?
The InChIKey is DVYZYEQDBBYLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-3-5-13(6-4-2)8(14)7-9(10,11)12/h1H,4-7H2,2H3.
What are the key properties of 3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide?
3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide has a molecular weight of 207.19 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 78971073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).