2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide

C7H13F2N3O — CID 129493815

IUPAC2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
SMILESNC(CN1CC[C@H](C(F)F)C1)=NO
InChIInChI=1S/C7H13F2N3O/c8-7(9)5-1-2-12(3-5)4-6(10)11-13/h5,7,13H,1-4H2,(H2,10,11)/t5-/m0/s1
InChIKeyAEBFNJHOPSCFSX-YFKPBYRVSA-N
MW193.20 g/mol
LogP0.32
Rot. Bonds3

About 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide

2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 129493815) has the molecular formula C7H13F2N3O and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
PubChem CID129493815
Molecular FormulaC7H13F2N3O
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
SMILESNC(CN1CC[C@H](C(F)F)C1)=NO
InChIInChI=1S/C7H13F2N3O/c8-7(9)5-1-2-12(3-5)4-6(10)11-13/h5,7,13H,1-4H2,(H2,10,11)/t5-/m0/s1
InChIKeyAEBFNJHOPSCFSX-YFKPBYRVSA-N
XLogP0.32
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-3-fluoropyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129494574
N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
CID 129393091
(3R)-3-(difluoromethyl)-1-ethylpyrrolidine
CID 130339062
N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide
CID 129381008
N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide
CID 121202978
2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide
CID 129496379
2-(4-ethylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 74312988
2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide
CID 104874659
(3S)-1-butyl-3-(difluoromethyl)pyrrolidine
CID 175738561
2-[3-(difluoromethyl)piperidin-1-yl]acetic acid
CID 121215404
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide
CID 77002434
N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide
CID 106587060

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide (CID 129493815) is 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide is NC(CN1CC[C@H](C(F)F)C1)=NO.
What is the InChIKey of 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is AEBFNJHOPSCFSX-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13F2N3O/c8-7(9)5-1-2-12(3-5)4-6(10)11-13/h5,7,13H,1-4H2,(H2,10,11)/t5-/m0/s1.
What are the key properties of 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide?
2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 193.20 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 129493815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).