1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol

C8H15F3N2O — CID 62943745

IUPAC1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol
SMILESCC(N)C(N1CCC(O)C1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-5(12)7(8(9,10)11)13-3-2-6(14)4-13/h5-7,14H,2-4,12H2,1H3
InChIKeyDDYBMVSYLMXAFL-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.33
Rot. Bonds2

About 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol

1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol (PubChem CID 62943745) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol
PubChem CID62943745
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol
SMILESCC(N)C(N1CCC(O)C1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-5(12)7(8(9,10)11)13-3-2-6(14)4-13/h5-7,14H,2-4,12H2,1H3
InChIKeyDDYBMVSYLMXAFL-UHFFFAOYSA-N
XLogP0.33
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol (CID 62943745) is 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol is CC(N)C(N1CCC(O)C1)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol?
The InChIKey is DDYBMVSYLMXAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-5(12)7(8(9,10)11)13-3-2-6(14)4-13/h5-7,14H,2-4,12H2,1H3.
What are the key properties of 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol?
1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol has a molecular weight of 212.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 62943745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).