3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol

C11H21F3N2O — CID 62468236

IUPAC3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol
SMILESNCCC(N1CCCC1CCCO)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)10(5-6-15)16-7-1-3-9(16)4-2-8-17/h9-10,17H,1-8,15H2
InChIKeyNBAJMBBBYDYZRD-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds6

About 3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62468236) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62468236
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol
SMILESNCCC(N1CCCC1CCCO)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)10(5-6-15)16-7-1-3-9(16)4-2-8-17/h9-10,17H,1-8,15H2
InChIKeyNBAJMBBBYDYZRD-UHFFFAOYSA-N
XLogP1.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol (CID 62468236) is 3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol is NCCC(N1CCCC1CCCO)C(F)(F)F.
What is the InChIKey of 3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is NBAJMBBBYDYZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c12-11(13,14)10(5-6-15)16-7-1-3-9(16)4-2-8-17/h9-10,17H,1-8,15H2.
What are the key properties of 3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62468236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).