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

C9H17F3N2O — CID 63704215

IUPAC4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
SMILESCC(C)N(CC(F)(F)F)C1CNCC1O
InChIInChI=1S/C9H17F3N2O/c1-6(2)14(5-9(10,11)12)7-3-13-4-8(7)15/h6-8,13,15H,3-5H2,1-2H3
InChIKeyVFSZSJKYGKUMKW-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.59
Rot. Bonds3

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

4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol (PubChem CID 63704215) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
PubChem CID63704215
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
SMILESCC(C)N(CC(F)(F)F)C1CNCC1O
InChIInChI=1S/C9H17F3N2O/c1-6(2)14(5-9(10,11)12)7-3-13-4-8(7)15/h6-8,13,15H,3-5H2,1-2H3
InChIKeyVFSZSJKYGKUMKW-UHFFFAOYSA-N
XLogP0.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
The IUPAC name of 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol (CID 63704215) is 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol.
What is the SMILES notation for 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
The canonical SMILES for 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol is CC(C)N(CC(F)(F)F)C1CNCC1O.
What is the InChIKey of 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
The InChIKey is VFSZSJKYGKUMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6(2)14(5-9(10,11)12)7-3-13-4-8(7)15/h6-8,13,15H,3-5H2,1-2H3.
What are the key properties of 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol has a molecular weight of 226.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 63704215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).