3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol

C10H19F3N2O — CID 63900035

IUPAC3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCN1CCC(CNCC(O)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-2-15-4-3-8(7-15)5-14-6-9(16)10(11,12)13/h8-9,14,16H,2-7H2,1H3
InChIKeyZFPVOIDASLZXDW-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.84
Rot. Bonds5

About 3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol

3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900035) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID63900035
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCN1CCC(CNCC(O)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-2-15-4-3-8(7-15)5-14-6-9(16)10(11,12)13/h8-9,14,16H,2-7H2,1H3
InChIKeyZFPVOIDASLZXDW-UHFFFAOYSA-N
XLogP0.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol (CID 63900035) is 3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol is CCN1CCC(CNCC(O)C(F)(F)F)C1.
What is the InChIKey of 3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is ZFPVOIDASLZXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-2-15-4-3-8(7-15)5-14-6-9(16)10(11,12)13/h8-9,14,16H,2-7H2,1H3.
What are the key properties of 3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 240.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).