3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride

C8H15ClF3NO — CID 135378166

IUPAC3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
SMILESCOC1(C(F)(F)F)CCCC(N)C1.Cl
InChIInChI=1S/C8H14F3NO.ClH/c1-13-7(8(9,10)11)4-2-3-6(12)5-7;/h6H,2-5,12H2,1H3;1H
InChIKeyHACXRHQFORHYJU-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.26
Rot. Bonds1

About 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride

3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride (PubChem CID 135378166) has the molecular formula C8H15ClF3NO and a molecular weight of 233.66 g/mol. Its IUPAC name is 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
PubChem CID135378166
Molecular FormulaC8H15ClF3NO
Molecular Weight233.66 g/mol
Exact Mass233.08
IUPAC Name3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
SMILESCOC1(C(F)(F)F)CCCC(N)C1.Cl
InChIInChI=1S/C8H14F3NO.ClH/c1-13-7(8(9,10)11)4-2-3-6(12)5-7;/h6H,2-5,12H2,1H3;1H
InChIKeyHACXRHQFORHYJU-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride (CID 135378166) is 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride is COC1(C(F)(F)F)CCCC(N)C1.Cl.
What is the InChIKey of 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is HACXRHQFORHYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO.ClH/c1-13-7(8(9,10)11)4-2-3-6(12)5-7;/h6H,2-5,12H2,1H3;1H.
What are the key properties of 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 233.66 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 135378166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).