1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine

C11H13F2N — CID 105005147

IUPAC1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1cccc(F)c1F
InChIInChI=1S/C11H13F2N/c1-7(2)11(14-3)8-5-4-6-9(12)10(8)13/h4-6,11,14H,1H2,2-3H3
InChIKeyQWQPCZITACFUAE-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.80
Rot. Bonds3

About 1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine

1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 105005147) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID105005147
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1cccc(F)c1F
InChIInChI=1S/C11H13F2N/c1-7(2)11(14-3)8-5-4-6-9(12)10(8)13/h4-6,11,14H,1H2,2-3H3
InChIKeyQWQPCZITACFUAE-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine
CID 105005495
1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol
CID 79190349
1-(2-bromo-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 107985164
1-(3-bromo-2-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005146
[1-(2-fluorophenyl)-2-methylprop-2-enyl]hydrazine
CID 105216948
1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005489
1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79189960
[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine
CID 105250399
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79177729
1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 107994087
1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 115533805
1-(3-chloro-2-fluorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177951

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine (CID 105005147) is 1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is QWQPCZITACFUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-7(2)11(14-3)8-5-4-6-9(12)10(8)13/h4-6,11,14H,1H2,2-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine?
1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 197.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 105005147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).