cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride

C6H12ClF2NO — CID 171316370

IUPACcis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride
SMILESCl.N[C@@H]1CCC(F)(F)C[C@@H]1O
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)2-1-4(9)5(10)3-6;/h4-5,10H,1-3,9H2;1H/t4-,5+;/m1./s1
InChIKeyOQORPJLMXFZJII-JBUOLDKXSA-N
MW187.62 g/mol
LogP0.92
Rot. Bonds

About cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride

cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride (PubChem CID 171316370) has the molecular formula C6H12ClF2NO and a molecular weight of 187.62 g/mol. Its IUPAC name is cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride
PubChem CID171316370
Molecular FormulaC6H12ClF2NO
Molecular Weight187.62 g/mol
Exact Mass187.06
IUPAC Namecis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride
SMILESCl.N[C@@H]1CCC(F)(F)C[C@@H]1O
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)2-1-4(9)5(10)3-6;/h4-5,10H,1-3,9H2;1H/t4-,5+;/m1./s1
InChIKeyOQORPJLMXFZJII-JBUOLDKXSA-N
XLogP0.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.62
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-2-amino-5,5-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

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride?
The IUPAC name of cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride (CID 171316370) is cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride?
The canonical SMILES for cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride is Cl.N[C@@H]1CCC(F)(F)C[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride?
The InChIKey is OQORPJLMXFZJII-JBUOLDKXSA-N. The full InChI is InChI=1S/C6H11F2NO.ClH/c7-6(8)2-1-4(9)5(10)3-6;/h4-5,10H,1-3,9H2;1H/t4-,5+;/m1./s1.
What are the key properties of cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride?
cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride has a molecular weight of 187.62 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 171316370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).