(2S)-4-amino-1,1,1-trifluorobutan-2-ol

C4H8F3NO — CID 51886728

IUPAC(2S)-4-amino-1,1,1-trifluorobutan-2-ol
SMILESNCC[C@H](O)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c5-4(6,7)3(9)1-2-8/h3,9H,1-2,8H2/t3-/m0/s1
InChIKeyVRZHVYTYYVVFSE-VKHMYHEASA-N
MW143.11 g/mol
LogP0.26
Rot. Bonds2

About (2S)-4-amino-1,1,1-trifluorobutan-2-ol

(2S)-4-amino-1,1,1-trifluorobutan-2-ol (PubChem CID 51886728) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is (2S)-4-amino-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name(2S)-4-amino-1,1,1-trifluorobutan-2-ol
PubChem CID51886728
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name(2S)-4-amino-1,1,1-trifluorobutan-2-ol
SMILESNCC[C@H](O)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c5-4(6,7)3(9)1-2-8/h3,9H,1-2,8H2/t3-/m0/s1
InChIKeyVRZHVYTYYVVFSE-VKHMYHEASA-N
XLogP0.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-1,1,1-trifluorobutan-2-ol?
The IUPAC name of (2S)-4-amino-1,1,1-trifluorobutan-2-ol (CID 51886728) is (2S)-4-amino-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for (2S)-4-amino-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for (2S)-4-amino-1,1,1-trifluorobutan-2-ol is NCC[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-4-amino-1,1,1-trifluorobutan-2-ol?
The InChIKey is VRZHVYTYYVVFSE-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8F3NO/c5-4(6,7)3(9)1-2-8/h3,9H,1-2,8H2/t3-/m0/s1.
What are the key properties of (2S)-4-amino-1,1,1-trifluorobutan-2-ol?
(2S)-4-amino-1,1,1-trifluorobutan-2-ol has a molecular weight of 143.11 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 51886728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).