2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide

C9H14F2N2O2 — CID 106176926

IUPAC2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide
SMILESCC(C(=O)NCC(F)(F)CO)=C1CNC1
InChIInChI=1S/C9H14F2N2O2/c1-6(7-2-12-3-7)8(15)13-4-9(10,11)5-14/h12,14H,2-5H2,1H3,(H,13,15)
InChIKeyRRHIULKURPBNDW-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.35
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide

2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide (PubChem CID 106176926) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide
PubChem CID106176926
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide
SMILESCC(C(=O)NCC(F)(F)CO)=C1CNC1
InChIInChI=1S/C9H14F2N2O2/c1-6(7-2-12-3-7)8(15)13-4-9(10,11)5-14/h12,14H,2-5H2,1H3,(H,13,15)
InChIKeyRRHIULKURPBNDW-UHFFFAOYSA-N
XLogP-0.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-3-methylbut-2-enamide
CID 104857212
2-(azetidin-3-ylidene)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 105646004
2-(azetidin-3-ylidene)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 105646290
2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
CID 107479340
2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide
CID 116674607
2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 116676468
2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 116676773
2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide
CID 116674753
2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide
CID 116674755
2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 116676847
2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide
CID 116678145
2-(azetidin-3-ylidene)-N-(3-hydroxy-2-methylpropyl)propanamide
CID 116678156

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide (CID 106176926) is 2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide is CC(C(=O)NCC(F)(F)CO)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide?
The InChIKey is RRHIULKURPBNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c1-6(7-2-12-3-7)8(15)13-4-9(10,11)5-14/h12,14H,2-5H2,1H3,(H,13,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide?
2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide has a molecular weight of 220.22 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2,2-difluoro-3-hydroxypropyl)propanamide is sourced from PubChem (CID 106176926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).