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

C8H11F3N2O — CID 116674607

IUPAC2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)=C1CNC1
InChIInChI=1S/C8H11F3N2O/c1-5(6-2-12-3-6)7(14)13-4-8(9,10)11/h12H,2-4H2,1H3,(H,13,14)
InChIKeyTUJIMOCHFGXJFN-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.58
Rot. Bonds2

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

2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 116674607) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID116674607
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)=C1CNC1
InChIInChI=1S/C8H11F3N2O/c1-5(6-2-12-3-6)7(14)13-4-8(9,10)11/h12H,2-4H2,1H3,(H,13,14)
InChIKeyTUJIMOCHFGXJFN-UHFFFAOYSA-N
XLogP0.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-Fluoropropan-2-ylidene)azetidin-2-one
CID 54202683
(3Z)-3-(1-fluoropropan-2-ylidene)azetidin-2-one
CID 55298723
(3E)-3-(1-fluoropropan-2-ylidene)azetidin-2-one
CID 70410674
(Z)-3-fluoro-2-methyl-N-propylbut-2-enamide
CID 117883121
N-(2,3-dimethylbut-2-enyl)-2,2,2-trifluoroacetamide
CID 168898285
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutan-2-yl)propanamide
CID 105937470
2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide
CID 106176926
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-(trifluoromethylsulfanyl)ethyl]propanamide
CID 106428283
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

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide (CID 116674607) is 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is TUJIMOCHFGXJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-5(6-2-12-3-6)7(14)13-4-8(9,10)11/h12H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide?
2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 208.18 g/mol, XLogP of 0.58, 2 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-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 116674607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).