(1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine

C10H11F2N — CID 55291930

IUPAC(1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(F)cc(F)c1C
InChIInChI=1S/C10H11F2N/c1-3-10(13)8-4-7(11)5-9(12)6(8)2/h3-5,10H,1,13H2,2H3/t10-/m1/s1
InChIKeyUPKQOVBBGGSKJW-SNVBAGLBSA-N
MW183.20 g/mol
LogP2.46
Rot. Bonds2

About (1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine

(1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine (PubChem CID 55291930) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is (1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
PubChem CID55291930
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name(1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(F)cc(F)c1C
InChIInChI=1S/C10H11F2N/c1-3-10(13)8-4-7(11)5-9(12)6(8)2/h3-5,10H,1,13H2,2H3/t10-/m1/s1
InChIKeyUPKQOVBBGGSKJW-SNVBAGLBSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine (CID 55291930) is (1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine is C=C[C@@H](N)c1cc(F)cc(F)c1C.
What is the InChIKey of (1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine?
The InChIKey is UPKQOVBBGGSKJW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11F2N/c1-3-10(13)8-4-7(11)5-9(12)6(8)2/h3-5,10H,1,13H2,2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine?
(1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine has a molecular weight of 183.20 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 55291930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).