2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol

C10H19F3N2O — CID 171505326

IUPAC2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCC(C)C(O)N(CC(F)(F)F)[C@H]1CCNC1
InChIInChI=1S/C10H19F3N2O/c1-7(2)9(16)15(6-10(11,12)13)8-3-4-14-5-8/h7-9,14,16H,3-6H2,1-2H3/t8-,9?/m0/s1
InChIKeyPVJCMKFKYMHQBO-IENPIDJESA-N
MW240.27 g/mol
LogP1.19
Rot. Bonds4

About 2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol

2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 171505326) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID171505326
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCC(C)C(O)N(CC(F)(F)F)[C@H]1CCNC1
InChIInChI=1S/C10H19F3N2O/c1-7(2)9(16)15(6-10(11,12)13)8-3-4-14-5-8/h7-9,14,16H,3-6H2,1-2H3/t8-,9?/m0/s1
InChIKeyPVJCMKFKYMHQBO-IENPIDJESA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 171505326) is 2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol is CC(C)C(O)N(CC(F)(F)F)[C@H]1CCNC1.
What is the InChIKey of 2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is PVJCMKFKYMHQBO-IENPIDJESA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-7(2)9(16)15(6-10(11,12)13)8-3-4-14-5-8/h7-9,14,16H,3-6H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of 2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol?
2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 240.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 171505326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).