(Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine

C11H13F2NO2 — CID 58759951

IUPAC(Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine
SMILESCN/C(=C\c1cc(F)cc(F)c1)COOC
InChIInChI=1S/C11H13F2NO2/c1-14-11(7-16-15-2)5-8-3-9(12)6-10(13)4-8/h3-6,14H,7H2,1-2H3/b11-5-
InChIKeyMDLULAZAUZBMIO-WZUFQYTHSA-N
MW229.23 g/mol
LogP2.10
Rot. Bonds5

About (Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine

(Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine (PubChem CID 58759951) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is (Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine
PubChem CID58759951
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name(Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine
SMILESCN/C(=C\c1cc(F)cc(F)c1)COOC
InChIInChI=1S/C11H13F2NO2/c1-14-11(7-16-15-2)5-8-3-9(12)6-10(13)4-8/h3-6,14H,7H2,1-2H3/b11-5-
InChIKeyMDLULAZAUZBMIO-WZUFQYTHSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine?
The IUPAC name of (Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine (CID 58759951) is (Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine.
What is the SMILES notation for (Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine?
The canonical SMILES for (Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine is CN/C(=C\c1cc(F)cc(F)c1)COOC.
What is the InChIKey of (Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine?
The InChIKey is MDLULAZAUZBMIO-WZUFQYTHSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-14-11(7-16-15-2)5-8-3-9(12)6-10(13)4-8/h3-6,14H,7H2,1-2H3/b11-5-.
What are the key properties of (Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine?
(Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine has a molecular weight of 229.23 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine is sourced from PubChem (CID 58759951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).