cis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride

C6H13ClFN — CID 126818648

IUPACcis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride
SMILESCl.N[C@@H]1CCCC[C@@H]1F
InChIInChI=1S/C6H12FN.ClH/c7-5-3-1-2-4-6(5)8;/h5-6H,1-4,8H2;1H/t5-,6+;/m0./s1
InChIKeyIOXBYKGOFZSEIL-RIHPBJNCSA-N
MW153.63 g/mol
LogP1.65
Rot. Bonds

About cis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride

cis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride (PubChem CID 126818648) has the molecular formula C6H13ClFN and a molecular weight of 153.63 g/mol. Its IUPAC name is cis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride
PubChem CID126818648
Molecular FormulaC6H13ClFN
Molecular Weight153.63 g/mol
Exact Mass153.07
IUPAC Namecis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride
SMILESCl.N[C@@H]1CCCC[C@@H]1F
InChIInChI=1S/C6H12FN.ClH/c7-5-3-1-2-4-6(5)8;/h5-6H,1-4,8H2;1H/t5-,6+;/m0./s1
InChIKeyIOXBYKGOFZSEIL-RIHPBJNCSA-N
XLogP1.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.63
LogP ≤ 51.65
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-fluorocyclohexan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride (CID 126818648) is cis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride is Cl.N[C@@H]1CCCC[C@@H]1F.
What is the InChIKey of cis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride?
The InChIKey is IOXBYKGOFZSEIL-RIHPBJNCSA-N. The full InChI is InChI=1S/C6H12FN.ClH/c7-5-3-1-2-4-6(5)8;/h5-6H,1-4,8H2;1H/t5-,6+;/m0./s1.
What are the key properties of cis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride?
cis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride has a molecular weight of 153.63 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-fluorocyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 126818648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).