2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide

C10H13F3N2O — CID 106213267

IUPAC2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCC(C(=O)NC1(C(F)(F)F)CC1)=C1CNC1
InChIInChI=1S/C10H13F3N2O/c1-6(7-4-14-5-7)8(16)15-9(2-3-9)10(11,12)13/h14H,2-5H2,1H3,(H,15,16)
InChIKeyRAMKNANWOACJFX-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.12
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide

2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 106213267) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID106213267
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCC(C(=O)NC1(C(F)(F)F)CC1)=C1CNC1
InChIInChI=1S/C10H13F3N2O/c1-6(7-4-14-5-7)8(16)15-9(2-3-9)10(11,12)13/h14H,2-5H2,1H3,(H,15,16)
InChIKeyRAMKNANWOACJFX-UHFFFAOYSA-N
XLogP1.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.12
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

2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutan-2-yl)propanamide
CID 105937470
2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291836
2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 113550858
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-ethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116677478
2-(azetidin-3-ylidene)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116677480
2-(azetidin-3-ylidene)-N-(3,3,3-trifluoropropyl)propanamide
CID 116677845
2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 116678235
2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide
CID 116678637
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide
CID 116678663

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 106213267) is 2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide is CC(C(=O)NC1(C(F)(F)F)CC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is RAMKNANWOACJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6(7-4-14-5-7)8(16)15-9(2-3-9)10(11,12)13/h14H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 234.22 g/mol, XLogP of 1.12, 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-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 106213267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).