1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride

C8H15ClF3NO — CID 75481559

IUPAC1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride
SMILESCl.NCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO.ClH/c9-8(10,11)6-2-1-3-7(13,4-6)5-12;/h6,13H,1-5,12H2;1H
InChIKeyQTYFWXMVARDHMF-UHFFFAOYSA-N
MW233.66 g/mol
LogP1.85
Rot. Bonds1

About 1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride

1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride (PubChem CID 75481559) has the molecular formula C8H15ClF3NO and a molecular weight of 233.66 g/mol. Its IUPAC name is 1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride
PubChem CID75481559
Molecular FormulaC8H15ClF3NO
Molecular Weight233.66 g/mol
Exact Mass233.08
IUPAC Name1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride
SMILESCl.NCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO.ClH/c9-8(10,11)6-2-1-3-7(13,4-6)5-12;/h6,13H,1-5,12H2;1H
InChIKeyQTYFWXMVARDHMF-UHFFFAOYSA-N
XLogP1.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride (CID 75481559) is 1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride is Cl.NCC1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride?
The InChIKey is QTYFWXMVARDHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO.ClH/c9-8(10,11)6-2-1-3-7(13,4-6)5-12;/h6,13H,1-5,12H2;1H.
What are the key properties of 1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride?
1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride has a molecular weight of 233.66 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 75481559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).