(2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride

C4H9ClF3NO2 — CID 176655669

IUPAC(2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CO)COC(F)(F)F
InChIInChI=1S/C4H8F3NO2.ClH/c5-4(6,7)10-2-3(8)1-9;/h3,9H,1-2,8H2;1H/t3-;/m0./s1
InChIKeyVQFKTFNGBVBVGU-DFWYDOINSA-N
MW195.57 g/mol
LogP0.26
Rot. Bonds3

About (2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride

(2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride (PubChem CID 176655669) has the molecular formula C4H9ClF3NO2 and a molecular weight of 195.57 g/mol. Its IUPAC name is (2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride
PubChem CID176655669
Molecular FormulaC4H9ClF3NO2
Molecular Weight195.57 g/mol
Exact Mass195.03
IUPAC Name(2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CO)COC(F)(F)F
InChIInChI=1S/C4H8F3NO2.ClH/c5-4(6,7)10-2-3(8)1-9;/h3,9H,1-2,8H2;1H/t3-;/m0./s1
InChIKeyVQFKTFNGBVBVGU-DFWYDOINSA-N
XLogP0.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.57
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride (CID 176655669) is (2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride is Cl.N[C@@H](CO)COC(F)(F)F.
What is the InChIKey of (2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride?
The InChIKey is VQFKTFNGBVBVGU-DFWYDOINSA-N. The full InChI is InChI=1S/C4H8F3NO2.ClH/c5-4(6,7)10-2-3(8)1-9;/h3,9H,1-2,8H2;1H/t3-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride?
(2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride has a molecular weight of 195.57 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(trifluoromethoxy)propan-1-ol;hydrochloride is sourced from PubChem (CID 176655669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).