2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide

C11H17F3N2O — CID 116676447

IUPAC2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)C(C)=C1CNC1
InChIInChI=1S/C11H17F3N2O/c1-3-4-16(7-11(12,13)14)10(17)8(2)9-5-15-6-9/h15H,3-7H2,1-2H3
InChIKeyGKQGHXJZQFQOLP-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.71
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide

2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 116676447) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID116676447
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)C(C)=C1CNC1
InChIInChI=1S/C11H17F3N2O/c1-3-4-16(7-11(12,13)14)10(17)8(2)9-5-15-6-9/h15H,3-7H2,1-2H3
InChIKeyGKQGHXJZQFQOLP-UHFFFAOYSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,3-difluoroazetidin-1-yl)methyl]-N-(2,2-dimethylpropyl)prop-2-enamide
CID 176757841
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide
CID 177013560
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-(2,2-dimethylpropyl)prop-2-enamide;molecular hydrogen
CID 177014845
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutan-2-yl)propanamide
CID 105937470
2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213267
2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291836
2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
CID 107479340
2-(Azetidin-3-ylidene)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 113550815
2-(azetidin-3-ylidene)-N-butyl-N-(2,2,2-trifluoroethyl)propanamide
CID 113550851
2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 113550858
2-(Azetidin-3-ylidene)-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 113551143
2-(azetidin-3-ylidene)-N-(5,5,5-trifluoropentyl)propanamide
CID 113551262

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (CID 116676447) is 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is CCCN(CC(F)(F)F)C(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is GKQGHXJZQFQOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-3-4-16(7-11(12,13)14)10(17)8(2)9-5-15-6-9/h15H,3-7H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 250.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 116676447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).