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

C10H19F3N2O — CID 66055172

IUPAC5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
SMILESCC(C)N(CC1CC(O)CN1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7(2)15(6-10(11,12)13)5-8-3-9(16)4-14-8/h7-9,14,16H,3-6H2,1-2H3
InChIKeyHPBWAHOEQAVRMT-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.98
Rot. Bonds4

About 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol

5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol (PubChem CID 66055172) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
PubChem CID66055172
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
SMILESCC(C)N(CC1CC(O)CN1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7(2)15(6-10(11,12)13)5-8-3-9(16)4-14-8/h7-9,14,16H,3-6H2,1-2H3
InChIKeyHPBWAHOEQAVRMT-UHFFFAOYSA-N
XLogP0.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol (CID 66055172) is 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol is CC(C)N(CC1CC(O)CN1)CC(F)(F)F.
What is the InChIKey of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is HPBWAHOEQAVRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-7(2)15(6-10(11,12)13)5-8-3-9(16)4-14-8/h7-9,14,16H,3-6H2,1-2H3.
What are the key properties of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol?
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 240.27 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66055172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).