2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride

C6H13ClF3NO2 — CID 90120224

IUPAC2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride
SMILESCl.NC(CO)CCC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2.ClH/c7-6(8,9)5(12)2-1-4(10)3-11;/h4-5,11-12H,1-3,10H2;1H
InChIKeyVQGXOYXEVNDFDP-UHFFFAOYSA-N
MW223.62 g/mol
LogP0.43
Rot. Bonds4

About 2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride

2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride (PubChem CID 90120224) has the molecular formula C6H13ClF3NO2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride.

Molecular Properties

Compound Name2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride
PubChem CID90120224
Molecular FormulaC6H13ClF3NO2
Molecular Weight223.62 g/mol
Exact Mass223.06
IUPAC Name2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride
SMILESCl.NC(CO)CCC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2.ClH/c7-6(8,9)5(12)2-1-4(10)3-11;/h4-5,11-12H,1-3,10H2;1H
InChIKeyVQGXOYXEVNDFDP-UHFFFAOYSA-N
XLogP0.43
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride?
The IUPAC name of 2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride (CID 90120224) is 2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride.
What is the SMILES notation for 2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride?
The canonical SMILES for 2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride is Cl.NC(CO)CCC(O)C(F)(F)F.
What is the InChIKey of 2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride?
The InChIKey is VQGXOYXEVNDFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2.ClH/c7-6(8,9)5(12)2-1-4(10)3-11;/h4-5,11-12H,1-3,10H2;1H.
What are the key properties of 2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride?
2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride has a molecular weight of 223.62 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride is sourced from PubChem (CID 90120224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).