2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride

C7H15ClF3NO — CID 122585210

IUPAC2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride
SMILESCCCCC(N)(CO)C(F)(F)F.Cl
InChIInChI=1S/C7H14F3NO.ClH/c1-2-3-4-6(11,5-12)7(8,9)10;/h12H,2-5,11H2,1H3;1H
InChIKeyXNPXZQJSOZSRCZ-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.85
Rot. Bonds4

About 2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride

2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride (PubChem CID 122585210) has the molecular formula C7H15ClF3NO and a molecular weight of 221.65 g/mol. Its IUPAC name is 2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride
PubChem CID122585210
Molecular FormulaC7H15ClF3NO
Molecular Weight221.65 g/mol
Exact Mass221.08
IUPAC Name2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride
SMILESCCCCC(N)(CO)C(F)(F)F.Cl
InChIInChI=1S/C7H14F3NO.ClH/c1-2-3-4-6(11,5-12)7(8,9)10;/h12H,2-5,11H2,1H3;1H
InChIKeyXNPXZQJSOZSRCZ-UHFFFAOYSA-N
XLogP1.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride?
The IUPAC name of 2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride (CID 122585210) is 2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride is CCCCC(N)(CO)C(F)(F)F.Cl.
What is the InChIKey of 2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride?
The InChIKey is XNPXZQJSOZSRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO.ClH/c1-2-3-4-6(11,5-12)7(8,9)10;/h12H,2-5,11H2,1H3;1H.
What are the key properties of 2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride?
2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride has a molecular weight of 221.65 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride is sourced from PubChem (CID 122585210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).