(2S)-3-amino-1,1,1-trifluoropropan-2-ol

C3H6F3NO — CID 2779001

IUPAC(2S)-3-amino-1,1,1-trifluoropropan-2-ol
SMILESNC[C@H](O)C(F)(F)F
InChIInChI=1S/C3H6F3NO/c4-3(5,6)2(8)1-7/h2,8H,1,7H2/t2-/m0/s1
InChIKeyRISHBQWFBUTROQ-REOHCLBHSA-N
MW129.08 g/mol
LogP-0.13
Rot. Bonds1

About (2S)-3-amino-1,1,1-trifluoropropan-2-ol

(2S)-3-amino-1,1,1-trifluoropropan-2-ol (PubChem CID 2779001) has the molecular formula C3H6F3NO and a molecular weight of 129.08 g/mol. Its IUPAC name is (2S)-3-amino-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-amino-1,1,1-trifluoropropan-2-ol
PubChem CID2779001
Molecular FormulaC3H6F3NO
Molecular Weight129.08 g/mol
Exact Mass129.04
IUPAC Name(2S)-3-amino-1,1,1-trifluoropropan-2-ol
SMILESNC[C@H](O)C(F)(F)F
InChIInChI=1S/C3H6F3NO/c4-3(5,6)2(8)1-7/h2,8H,1,7H2/t2-/m0/s1
InChIKeyRISHBQWFBUTROQ-REOHCLBHSA-N
XLogP-0.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.08
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-amino-1,1,1-trifluoropropan-2-ol (CID 2779001) is (2S)-3-amino-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-amino-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-amino-1,1,1-trifluoropropan-2-ol is NC[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-3-amino-1,1,1-trifluoropropan-2-ol?
The InChIKey is RISHBQWFBUTROQ-REOHCLBHSA-N. The full InChI is InChI=1S/C3H6F3NO/c4-3(5,6)2(8)1-7/h2,8H,1,7H2/t2-/m0/s1.
What are the key properties of (2S)-3-amino-1,1,1-trifluoropropan-2-ol?
(2S)-3-amino-1,1,1-trifluoropropan-2-ol has a molecular weight of 129.08 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 2779001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).