2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide

C10H18F2N2O2 — CID 107479460

IUPAC2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
SMILESCC(C(=O)N(CCO)CC(F)F)C1CNC1
InChIInChI=1S/C10H18F2N2O2/c1-7(8-4-13-5-8)10(16)14(2-3-15)6-9(11)12/h7-9,13,15H,2-6H2,1H3
InChIKeyRFMJOKLQDLWSLT-UHFFFAOYSA-N
MW236.26 g/mol
LogP-0.07
Rot. Bonds6

About 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide

2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide (PubChem CID 107479460) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
PubChem CID107479460
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
SMILESCC(C(=O)N(CCO)CC(F)F)C1CNC1
InChIInChI=1S/C10H18F2N2O2/c1-7(8-4-13-5-8)10(16)14(2-3-15)6-9(11)12/h7-9,13,15H,2-6H2,1H3
InChIKeyRFMJOKLQDLWSLT-UHFFFAOYSA-N
XLogP-0.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 116678990
2-(azetidin-3-yl)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 116674963
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 107479357
2-(azetidin-3-yl)-N-(2-ethoxyethyl)-N-ethylpropanamide
CID 116677912
N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
CID 107483262
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide
CID 107571038
2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid
CID 116678360
2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide
CID 116674919
2-(azetidin-3-yl)-N-ethyl-N-(2-phenylethyl)propanamide
CID 116676512
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 107483272
2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide
CID 116676204
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 107494882

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide (CID 107479460) is 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide is CC(C(=O)N(CCO)CC(F)F)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is RFMJOKLQDLWSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-7(8-4-13-5-8)10(16)14(2-3-15)6-9(11)12/h7-9,13,15H,2-6H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 236.26 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 107479460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).