3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride

C8H17ClF3NO — CID 86718188

IUPAC3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride
SMILESCC(C)(O)C(N)CCCC(F)(F)F.Cl
InChIInChI=1S/C8H16F3NO.ClH/c1-7(2,13)6(12)4-3-5-8(9,10)11;/h6,13H,3-5,12H2,1-2H3;1H
InChIKeyHNDMICBXEDUCDC-UHFFFAOYSA-N
MW235.68 g/mol
LogP2.24
Rot. Bonds4

About 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride

3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride (PubChem CID 86718188) has the molecular formula C8H17ClF3NO and a molecular weight of 235.68 g/mol. Its IUPAC name is 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride
PubChem CID86718188
Molecular FormulaC8H17ClF3NO
Molecular Weight235.68 g/mol
Exact Mass235.10
IUPAC Name3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride
SMILESCC(C)(O)C(N)CCCC(F)(F)F.Cl
InChIInChI=1S/C8H16F3NO.ClH/c1-7(2,13)6(12)4-3-5-8(9,10)11;/h6,13H,3-5,12H2,1-2H3;1H
InChIKeyHNDMICBXEDUCDC-UHFFFAOYSA-N
XLogP2.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride?
The IUPAC name of 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride (CID 86718188) is 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride.
What is the SMILES notation for 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride?
The canonical SMILES for 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride is CC(C)(O)C(N)CCCC(F)(F)F.Cl.
What is the InChIKey of 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride?
The InChIKey is HNDMICBXEDUCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO.ClH/c1-7(2,13)6(12)4-3-5-8(9,10)11;/h6,13H,3-5,12H2,1-2H3;1H.
What are the key properties of 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride?
3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride has a molecular weight of 235.68 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol;hydrochloride is sourced from PubChem (CID 86718188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).