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

C6H13ClF3NO2 — CID 174612782

IUPAC2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride
SMILESCCC(O)(C(N)CO)C(F)(F)F.Cl
InChIInChI=1S/C6H12F3NO2.ClH/c1-2-5(12,4(10)3-11)6(7,8)9;/h4,11-12H,2-3,10H2,1H3;1H
InChIKeyUSGIZYMHKYHGNK-UHFFFAOYSA-N
MW223.62 g/mol
LogP0.43
Rot. Bonds3

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

2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride (PubChem CID 174612782) has the molecular formula C6H13ClF3NO2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride
PubChem CID174612782
Molecular FormulaC6H13ClF3NO2
Molecular Weight223.62 g/mol
Exact Mass223.06
IUPAC Name2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride
SMILESCCC(O)(C(N)CO)C(F)(F)F.Cl
InChIInChI=1S/C6H12F3NO2.ClH/c1-2-5(12,4(10)3-11)6(7,8)9;/h4,11-12H,2-3,10H2,1H3;1H
InChIKeyUSGIZYMHKYHGNK-UHFFFAOYSA-N
XLogP0.43
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride?
The IUPAC name of 2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride (CID 174612782) is 2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride.
What is the SMILES notation for 2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride?
The canonical SMILES for 2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride is CCC(O)(C(N)CO)C(F)(F)F.Cl.
What is the InChIKey of 2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride?
The InChIKey is USGIZYMHKYHGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2.ClH/c1-2-5(12,4(10)3-11)6(7,8)9;/h4,11-12H,2-3,10H2,1H3;1H.
What are the key properties of 2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride?
2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride has a molecular weight of 223.62 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride is sourced from PubChem (CID 174612782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).