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

C8H15F2NO — CID 118556057

IUPAC1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol
SMILESCC1CC(O)(CN)CCC1(F)F
InChIInChI=1S/C8H15F2NO/c1-6-4-7(12,5-11)2-3-8(6,9)10/h6,12H,2-5,11H2,1H3
InChIKeyOUYGJLYGNZMCDL-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.13
Rot. Bonds1

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

1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol (PubChem CID 118556057) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol
PubChem CID118556057
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol
SMILESCC1CC(O)(CN)CCC1(F)F
InChIInChI=1S/C8H15F2NO/c1-6-4-7(12,5-11)2-3-8(6,9)10/h6,12H,2-5,11H2,1H3
InChIKeyOUYGJLYGNZMCDL-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol (CID 118556057) is 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol is CC1CC(O)(CN)CCC1(F)F.
What is the InChIKey of 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol?
The InChIKey is OUYGJLYGNZMCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6-4-7(12,5-11)2-3-8(6,9)10/h6,12H,2-5,11H2,1H3.
What are the key properties of 1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol?
1-(aminomethyl)-4,4-difluoro-3-methylcyclohexan-1-ol has a molecular weight of 179.21 g/mol, XLogP of 1.13, 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 is sourced from PubChem (CID 118556057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).