4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol

C9H15F3N2O — CID 63704213

IUPAC4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
SMILESOC1CNCC1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)5-14(6-1-2-6)7-3-13-4-8(7)15/h6-8,13,15H,1-5H2
InChIKeyPABKLIPWWFFGFB-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.35
Rot. Bonds3

About 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol

4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol (PubChem CID 63704213) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
PubChem CID63704213
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
SMILESOC1CNCC1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)5-14(6-1-2-6)7-3-13-4-8(7)15/h6-8,13,15H,1-5H2
InChIKeyPABKLIPWWFFGFB-UHFFFAOYSA-N
XLogP0.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
The IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol (CID 63704213) is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol.
What is the SMILES notation for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
The canonical SMILES for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol is OC1CNCC1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
The InChIKey is PABKLIPWWFFGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)5-14(6-1-2-6)7-3-13-4-8(7)15/h6-8,13,15H,1-5H2.
What are the key properties of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol has a molecular weight of 224.23 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 63704213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).