[(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine

C13H16FNO — CID 118733820

IUPAC[(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine
SMILESC=CCOc1ccc(F)cc1[C@@H]1C[C@H]1CN
InChIInChI=1S/C13H16FNO/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15/h2-4,7,9,11H,1,5-6,8,15H2/t9-,11+/m0/s1
InChIKeyFZUHWKBXUCCYPI-GXSJLCMTSA-N
MW221.27 g/mol
LogP2.45
Rot. Bonds5

About [(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine

[(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine (PubChem CID 118733820) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is [(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine
PubChem CID118733820
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name[(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine
SMILESC=CCOc1ccc(F)cc1[C@@H]1C[C@H]1CN
InChIInChI=1S/C13H16FNO/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15/h2-4,7,9,11H,1,5-6,8,15H2/t9-,11+/m0/s1
InChIKeyFZUHWKBXUCCYPI-GXSJLCMTSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine (CID 118733820) is [(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine is C=CCOc1ccc(F)cc1[C@@H]1C[C@H]1CN.
What is the InChIKey of [(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine?
The InChIKey is FZUHWKBXUCCYPI-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H16FNO/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15/h2-4,7,9,11H,1,5-6,8,15H2/t9-,11+/m0/s1.
What are the key properties of [(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine?
[(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine has a molecular weight of 221.27 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 118733820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).