[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol

C9H17F3N2O — CID 61407665

IUPAC[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol
SMILESNCCC(N1CCCC1CO)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8(3-4-13)14-5-1-2-7(14)6-15/h7-8,15H,1-6,13H2
InChIKeyQOFASASVOAOMNT-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.72
Rot. Bonds4

About [1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol

[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 61407665) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is [1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol
PubChem CID61407665
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol
SMILESNCCC(N1CCCC1CO)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8(3-4-13)14-5-1-2-7(14)6-15/h7-8,15H,1-6,13H2
InChIKeyQOFASASVOAOMNT-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol (CID 61407665) is [1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol is NCCC(N1CCCC1CO)C(F)(F)F.
What is the InChIKey of [1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is QOFASASVOAOMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)8(3-4-13)14-5-1-2-7(14)6-15/h7-8,15H,1-6,13H2.
What are the key properties of [1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol?
[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol has a molecular weight of 226.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 61407665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).