[1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol

C9H17F3N2O — CID 121203196

IUPAC[1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESNCCCN1CCC(CO)(C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8(7-15)2-5-14(6-8)4-1-3-13/h15H,1-7,13H2
InChIKeyZXUCPXGHEZZAAX-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.58
Rot. Bonds4

About [1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol

[1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol (PubChem CID 121203196) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is [1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
PubChem CID121203196
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name[1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESNCCCN1CCC(CO)(C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8(7-15)2-5-14(6-8)4-1-3-13/h15H,1-7,13H2
InChIKeyZXUCPXGHEZZAAX-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol (CID 121203196) is [1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol is NCCCN1CCC(CO)(C(F)(F)F)C1.
What is the InChIKey of [1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The InChIKey is ZXUCPXGHEZZAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)8(7-15)2-5-14(6-8)4-1-3-13/h15H,1-7,13H2.
What are the key properties of [1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
[1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol has a molecular weight of 226.24 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 121203196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).