(2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride

C3H7ClF3NO — CID 47003174

IUPAC(2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.NC[C@@H](O)C(F)(F)F
InChIInChI=1S/C3H6F3NO.ClH/c4-3(5,6)2(8)1-7;/h2,8H,1,7H2;1H/t2-;/m1./s1
InChIKeyDHSCPPZGIAEZHF-HSHFZTNMSA-N
MW165.54 g/mol
LogP0.29
Rot. Bonds1

About (2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride

(2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride (PubChem CID 47003174) has the molecular formula C3H7ClF3NO and a molecular weight of 165.54 g/mol. Its IUPAC name is (2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride
PubChem CID47003174
Molecular FormulaC3H7ClF3NO
Molecular Weight165.54 g/mol
Exact Mass165.02
IUPAC Name(2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.NC[C@@H](O)C(F)(F)F
InChIInChI=1S/C3H6F3NO.ClH/c4-3(5,6)2(8)1-7;/h2,8H,1,7H2;1H/t2-;/m1./s1
InChIKeyDHSCPPZGIAEZHF-HSHFZTNMSA-N
XLogP0.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.54
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride?
The IUPAC name of (2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride (CID 47003174) is (2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride.
What is the SMILES notation for (2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride?
The canonical SMILES for (2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride is Cl.NC[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride?
The InChIKey is DHSCPPZGIAEZHF-HSHFZTNMSA-N. The full InChI is InChI=1S/C3H6F3NO.ClH/c4-3(5,6)2(8)1-7;/h2,8H,1,7H2;1H/t2-;/m1./s1.
What are the key properties of (2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride?
(2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride has a molecular weight of 165.54 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride is sourced from PubChem (CID 47003174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).