2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride

C4H9ClF3NO2 — CID 122164474

IUPAC2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride
SMILESCl.NC(CO)(CO)C(F)(F)F
InChIInChI=1S/C4H8F3NO2.ClH/c5-4(6,7)3(8,1-9)2-10;/h9-10H,1-2,8H2;1H
InChIKeyNNOBPKZFLFVWPM-UHFFFAOYSA-N
MW195.57 g/mol
LogP-0.35
Rot. Bonds2

About 2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride

2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride (PubChem CID 122164474) has the molecular formula C4H9ClF3NO2 and a molecular weight of 195.57 g/mol. Its IUPAC name is 2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride
PubChem CID122164474
Molecular FormulaC4H9ClF3NO2
Molecular Weight195.57 g/mol
Exact Mass195.03
IUPAC Name2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride
SMILESCl.NC(CO)(CO)C(F)(F)F
InChIInChI=1S/C4H8F3NO2.ClH/c5-4(6,7)3(8,1-9)2-10;/h9-10H,1-2,8H2;1H
InChIKeyNNOBPKZFLFVWPM-UHFFFAOYSA-N
XLogP-0.35
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.57
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride?
The IUPAC name of 2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride (CID 122164474) is 2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride.
What is the SMILES notation for 2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride?
The canonical SMILES for 2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride is Cl.NC(CO)(CO)C(F)(F)F.
What is the InChIKey of 2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride?
The InChIKey is NNOBPKZFLFVWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2.ClH/c5-4(6,7)3(8,1-9)2-10;/h9-10H,1-2,8H2;1H.
What are the key properties of 2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride?
2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride has a molecular weight of 195.57 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(trifluoromethyl)propane-1,3-diol;hydrochloride is sourced from PubChem (CID 122164474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).