1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol

C11H19F3N2O — CID 106212250

IUPAC1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
SMILESOC(CNC1(C(F)(F)F)CC1)CN1CCCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)10(3-4-10)15-7-9(17)8-16-5-1-2-6-16/h9,15,17H,1-8H2
InChIKeyLQHHCGRHQBFHEB-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.13
Rot. Bonds5

About 1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol

1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol (PubChem CID 106212250) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
PubChem CID106212250
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
SMILESOC(CNC1(C(F)(F)F)CC1)CN1CCCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)10(3-4-10)15-7-9(17)8-16-5-1-2-6-16/h9,15,17H,1-8H2
InChIKeyLQHHCGRHQBFHEB-UHFFFAOYSA-N
XLogP1.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The IUPAC name of 1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol (CID 106212250) is 1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The canonical SMILES for 1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol is OC(CNC1(C(F)(F)F)CC1)CN1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The InChIKey is LQHHCGRHQBFHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)10(3-4-10)15-7-9(17)8-16-5-1-2-6-16/h9,15,17H,1-8H2.
What are the key properties of 1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol has a molecular weight of 252.28 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol is sourced from PubChem (CID 106212250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).