cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine

C10H12FN — CID 94419746

IUPACcis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine
SMILESC[C@]1(c2ccc(F)cc2)C[C@@H]1N
InChIInChI=1S/C10H12FN/c1-10(6-9(10)12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-,10+/m0/s1
InChIKeyUVZHGHRAAWACNM-VHSXEESVSA-N
MW165.21 g/mol
LogP1.81
Rot. Bonds1

About cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine

cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine (PubChem CID 94419746) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine
PubChem CID94419746
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Namecis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine
SMILESC[C@]1(c2ccc(F)cc2)C[C@@H]1N
InChIInChI=1S/C10H12FN/c1-10(6-9(10)12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-,10+/m0/s1
InChIKeyUVZHGHRAAWACNM-VHSXEESVSA-N
XLogP1.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine?
The IUPAC name of cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine (CID 94419746) is cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine is C[C@]1(c2ccc(F)cc2)C[C@@H]1N.
What is the InChIKey of cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine?
The InChIKey is UVZHGHRAAWACNM-VHSXEESVSA-N. The full InChI is InChI=1S/C10H12FN/c1-10(6-9(10)12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-,10+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine?
cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine has a molecular weight of 165.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine is sourced from PubChem (CID 94419746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).