1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride

C8H16ClF2NO — CID 118556116

IUPAC1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride
SMILESCC1CC(O)(CN)CCC1(F)F.Cl
InChIInChI=1S/C8H15F2NO.ClH/c1-6-4-7(12,5-11)2-3-8(6,9)10;/h6,12H,2-5,11H2,1H3;1H
InChIKeyQERMUDKSTTVQGF-UHFFFAOYSA-N
MW215.67 g/mol
LogP1.55
Rot. Bonds1

About 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride

1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride (PubChem CID 118556116) has the molecular formula C8H16ClF2NO and a molecular weight of 215.67 g/mol. Its IUPAC name is 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride
PubChem CID118556116
Molecular FormulaC8H16ClF2NO
Molecular Weight215.67 g/mol
Exact Mass215.09
IUPAC Name1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride
SMILESCC1CC(O)(CN)CCC1(F)F.Cl
InChIInChI=1S/C8H15F2NO.ClH/c1-6-4-7(12,5-11)2-3-8(6,9)10;/h6,12H,2-5,11H2,1H3;1H
InChIKeyQERMUDKSTTVQGF-UHFFFAOYSA-N
XLogP1.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.67
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride (CID 118556116) is 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride is CC1CC(O)(CN)CCC1(F)F.Cl.
What is the InChIKey of 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride?
The InChIKey is QERMUDKSTTVQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO.ClH/c1-6-4-7(12,5-11)2-3-8(6,9)10;/h6,12H,2-5,11H2,1H3;1H.
What are the key properties of 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride?
1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride has a molecular weight of 215.67 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 118556116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).