(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride

C7H15ClF3NO — CID 169093308

IUPAC(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride
SMILESCC(C)(C[C@@H](N)CO)C(F)(F)F.Cl
InChIInChI=1S/C7H14F3NO.ClH/c1-6(2,7(8,9)10)3-5(11)4-12;/h5,12H,3-4,11H2,1-2H3;1H/t5-;/m1./s1
InChIKeyMQBRGGIBYBDJMA-NUBCRITNSA-N
MW221.65 g/mol
LogP1.71
Rot. Bonds3

About (2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride

(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride (PubChem CID 169093308) has the molecular formula C7H15ClF3NO and a molecular weight of 221.65 g/mol. Its IUPAC name is (2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride
PubChem CID169093308
Molecular FormulaC7H15ClF3NO
Molecular Weight221.65 g/mol
Exact Mass221.08
IUPAC Name(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride
SMILESCC(C)(C[C@@H](N)CO)C(F)(F)F.Cl
InChIInChI=1S/C7H14F3NO.ClH/c1-6(2,7(8,9)10)3-5(11)4-12;/h5,12H,3-4,11H2,1-2H3;1H/t5-;/m1./s1
InChIKeyMQBRGGIBYBDJMA-NUBCRITNSA-N
XLogP1.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride?
The IUPAC name of (2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride (CID 169093308) is (2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride?
The canonical SMILES for (2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride is CC(C)(C[C@@H](N)CO)C(F)(F)F.Cl.
What is the InChIKey of (2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride?
The InChIKey is MQBRGGIBYBDJMA-NUBCRITNSA-N. The full InChI is InChI=1S/C7H14F3NO.ClH/c1-6(2,7(8,9)10)3-5(11)4-12;/h5,12H,3-4,11H2,1-2H3;1H/t5-;/m1./s1.
What are the key properties of (2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride?
(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride has a molecular weight of 221.65 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride is sourced from PubChem (CID 169093308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).