2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide

C9H12F4N2O — CID 106291836

IUPAC2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESCC(C(=O)NCC(F)(F)C(F)F)=C1CNC1
InChIInChI=1S/C9H12F4N2O/c1-5(6-2-14-3-6)7(16)15-4-9(12,13)8(10)11/h8,14H,2-4H2,1H3,(H,15,16)
InChIKeyYPPYGGQXPCDDEV-UHFFFAOYSA-N
MW240.20 g/mol
LogP0.92
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide

2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide (PubChem CID 106291836) has the molecular formula C9H12F4N2O and a molecular weight of 240.20 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide
PubChem CID106291836
Molecular FormulaC9H12F4N2O
Molecular Weight240.20 g/mol
Exact Mass240.09
IUPAC Name2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESCC(C(=O)NCC(F)(F)C(F)F)=C1CNC1
InChIInChI=1S/C9H12F4N2O/c1-5(6-2-14-3-6)7(16)15-4-9(12,13)8(10)11/h8,14H,2-4H2,1H3,(H,15,16)
InChIKeyYPPYGGQXPCDDEV-UHFFFAOYSA-N
XLogP0.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-[(2e)-2,3-dimethylbut-2-ene-1,4-diyl]bis-(trifluoroacetamide)
CID 133065082
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-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)-N-(5,5,5-trifluoropentyl)propanamide
CID 113551262
2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide
CID 116674607
2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116675906
2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116676447
2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 116676471
2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 116676498
2-(azetidin-3-ylidene)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 116676509

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide (CID 106291836) is 2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide is CC(C(=O)NCC(F)(F)C(F)F)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The InChIKey is YPPYGGQXPCDDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4N2O/c1-5(6-2-14-3-6)7(16)15-4-9(12,13)8(10)11/h8,14H,2-4H2,1H3,(H,15,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide?
2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide has a molecular weight of 240.20 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide is sourced from PubChem (CID 106291836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).