cis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride

C10H13ClFN — CID 11217911

IUPACcis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride
SMILESCc1ccc([C@@]2(F)C[C@H]2N)cc1.Cl
InChIInChI=1S/C10H12FN.ClH/c1-7-2-4-8(5-3-7)10(11)6-9(10)12;/h2-5,9H,6,12H2,1H3;1H/t9-,10+;/m1./s1
InChIKeyKFLOXQOCAOOZJG-UXQCFNEQSA-N
MW201.67 g/mol
LogP2.31
Rot. Bonds1

About cis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride

cis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 11217911) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is cis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride
PubChem CID11217911
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Namecis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride
SMILESCc1ccc([C@@]2(F)C[C@H]2N)cc1.Cl
InChIInChI=1S/C10H12FN.ClH/c1-7-2-4-8(5-3-7)10(11)6-9(10)12;/h2-5,9H,6,12H2,1H3;1H/t9-,10+;/m1./s1
InChIKeyKFLOXQOCAOOZJG-UXQCFNEQSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;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-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride (CID 11217911) is cis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride is Cc1ccc([C@@]2(F)C[C@H]2N)cc1.Cl.
What is the InChIKey of cis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is KFLOXQOCAOOZJG-UXQCFNEQSA-N. The full InChI is InChI=1S/C10H12FN.ClH/c1-7-2-4-8(5-3-7)10(11)6-9(10)12;/h2-5,9H,6,12H2,1H3;1H/t9-,10+;/m1./s1.
What are the key properties of cis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride?
cis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 201.67 g/mol, XLogP of 2.31, 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-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 11217911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).