2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide

C7H12F3N3O — CID 130524194

IUPAC2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)6(14)1-2-13(4-6)3-5(11)12/h14H,1-4H2,(H3,11,12)
InChIKeyMOESCNYOQHQQAV-UHFFFAOYSA-N
MW211.19 g/mol
LogP-0.08
Rot. Bonds2

About 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide

2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide (PubChem CID 130524194) has the molecular formula C7H12F3N3O and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide
PubChem CID130524194
Molecular FormulaC7H12F3N3O
Molecular Weight211.19 g/mol
Exact Mass211.09
IUPAC Name2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)6(14)1-2-13(4-6)3-5(11)12/h14H,1-4H2,(H3,11,12)
InChIKeyMOESCNYOQHQQAV-UHFFFAOYSA-N
XLogP-0.08
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoro-2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]propanimidamide
CID 103370852
(Z)-N'-hydroxy-2-(3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl)acetimidamide
CID 121203250
N'-hydroxy-2-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide
CID 129353751
N'-hydroxy-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide
CID 129353752
2-(3-Hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide
CID 103356381

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide?
The IUPAC name of 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide (CID 130524194) is 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide?
The canonical SMILES for 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide?
The InChIKey is MOESCNYOQHQQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O/c8-7(9,10)6(14)1-2-13(4-6)3-5(11)12/h14H,1-4H2,(H3,11,12).
What are the key properties of 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide?
2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide has a molecular weight of 211.19 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide is sourced from PubChem (CID 130524194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).