cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride

C7H15ClFN — CID 164886232

IUPACcis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride
SMILESCN[C@@H]1CCCC[C@@H]1F.Cl
InChIInChI=1S/C7H14FN.ClH/c1-9-7-5-3-2-4-6(7)8;/h6-7,9H,2-5H2,1H3;1H/t6-,7+;/m0./s1
InChIKeyZDIKVJLMYZYLCI-UOERWJHTSA-N
MW167.65 g/mol
LogP1.91
Rot. Bonds1

About cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride

cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride (PubChem CID 164886232) has the molecular formula C7H15ClFN and a molecular weight of 167.65 g/mol. Its IUPAC name is cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride
PubChem CID164886232
Molecular FormulaC7H15ClFN
Molecular Weight167.65 g/mol
Exact Mass167.09
IUPAC Namecis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride
SMILESCN[C@@H]1CCCC[C@@H]1F.Cl
InChIInChI=1S/C7H14FN.ClH/c1-9-7-5-3-2-4-6(7)8;/h6-7,9H,2-5H2,1H3;1H/t6-,7+;/m0./s1
InChIKeyZDIKVJLMYZYLCI-UOERWJHTSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.65
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride (CID 164886232) is cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride is CN[C@@H]1CCCC[C@@H]1F.Cl.
What is the InChIKey of cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride?
The InChIKey is ZDIKVJLMYZYLCI-UOERWJHTSA-N. The full InChI is InChI=1S/C7H14FN.ClH/c1-9-7-5-3-2-4-6(7)8;/h6-7,9H,2-5H2,1H3;1H/t6-,7+;/m0./s1.
What are the key properties of cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride?
cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride has a molecular weight of 167.65 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 164886232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).