1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol

C8H15F3N2O2 — CID 106668149

IUPAC1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol
SMILESNCCC(N1CC(O)C(O)C1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)7(1-2-12)13-3-5(14)6(15)4-13/h5-7,14-15H,1-4,12H2
InChIKeyWKWULFLYACMQAF-UHFFFAOYSA-N
MW228.21 g/mol
LogP-0.70
Rot. Bonds3

About 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol

1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol (PubChem CID 106668149) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol
PubChem CID106668149
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol
SMILESNCCC(N1CC(O)C(O)C1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)7(1-2-12)13-3-5(14)6(15)4-13/h5-7,14-15H,1-4,12H2
InChIKeyWKWULFLYACMQAF-UHFFFAOYSA-N
XLogP-0.70
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol (CID 106668149) is 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol is NCCC(N1CC(O)C(O)C1)C(F)(F)F.
What is the InChIKey of 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol?
The InChIKey is WKWULFLYACMQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c9-8(10,11)7(1-2-12)13-3-5(14)6(15)4-13/h5-7,14-15H,1-4,12H2.
What are the key properties of 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol?
1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol has a molecular weight of 228.21 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106668149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).