1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride

C7H14ClF2NO — CID 118556030

IUPAC1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride
SMILESCl.NCC1(O)CCCC(F)(F)C1
InChIInChI=1S/C7H13F2NO.ClH/c8-7(9)3-1-2-6(11,4-7)5-10;/h11H,1-5,10H2;1H
InChIKeyOAZXWZPEIANDCN-UHFFFAOYSA-N
MW201.64 g/mol
LogP1.31
Rot. Bonds1

About 1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride

1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride (PubChem CID 118556030) has the molecular formula C7H14ClF2NO and a molecular weight of 201.64 g/mol. Its IUPAC name is 1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride
PubChem CID118556030
Molecular FormulaC7H14ClF2NO
Molecular Weight201.64 g/mol
Exact Mass201.07
IUPAC Name1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride
SMILESCl.NCC1(O)CCCC(F)(F)C1
InChIInChI=1S/C7H13F2NO.ClH/c8-7(9)3-1-2-6(11,4-7)5-10;/h11H,1-5,10H2;1H
InChIKeyOAZXWZPEIANDCN-UHFFFAOYSA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.64
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

1-(Aminomethyl)cyclohexan-1-ol
CID 77614
Cyclohexanol, 1-(aminomethyl)-, hydrochloride (1:1)
CID 3084332
2-Amino-1-(trifluoromethyl)cyclohexan-1-ol
CID 54594717
4-Amino-1-(trifluoromethyl)cyclohexan-1-ol hydrochloride
CID 71756592
1-(Aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol hydrochloride
CID 75481559
1-(Aminomethyl)-4,4-difluorocyclohexan-1-ol hydrochloride
CID 90000450
1-(1-Amino-2,2,2-trifluoroethyl)cyclohexan-1-ol
CID 21288546
1-[(1R)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol
CID 53939956
1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol
CID 56609959
1-Aminomethyl-4-trifluoromethyl-cyclohexanol
CID 64754909
1-(Aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759262
1-(Aminomethyl)-4,4-difluorocyclohexan-1-ol
CID 90000451

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride (CID 118556030) is 1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride is Cl.NCC1(O)CCCC(F)(F)C1.
What is the InChIKey of 1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride?
The InChIKey is OAZXWZPEIANDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO.ClH/c8-7(9)3-1-2-6(11,4-7)5-10;/h11H,1-5,10H2;1H.
What are the key properties of 1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride?
1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride has a molecular weight of 201.64 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3,3-difluorocyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 118556030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).