[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine

C11H12F4N2 — CID 105250399

IUPAC[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine
SMILESC=C(C)C(NN)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H12F4N2/c1-6(2)10(17-16)7-4-3-5-8(9(7)12)11(13,14)15/h3-5,10,17H,1,16H2,2H3
InChIKeyKKXHDTNTAYTJHT-UHFFFAOYSA-N
MW248.22 g/mol
LogP2.92
Rot. Bonds3

About [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine

[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine (PubChem CID 105250399) has the molecular formula C11H12F4N2 and a molecular weight of 248.22 g/mol. Its IUPAC name is [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine.

Molecular Properties

Compound Name[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine
PubChem CID105250399
Molecular FormulaC11H12F4N2
Molecular Weight248.22 g/mol
Exact Mass248.09
IUPAC Name[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine
SMILESC=C(C)C(NN)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H12F4N2/c1-6(2)10(17-16)7-4-3-5-8(9(7)12)11(13,14)15/h3-5,10,17H,1,16H2,2H3
InChIKeyKKXHDTNTAYTJHT-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-fluorophenyl)-2-methylprop-2-enyl]hydrazine
CID 105216948
1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine
CID 105250321
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131342420
[[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methyl]hydrazine
CID 105250323
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171242278
1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine
CID 105250334
1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005147
[1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine
CID 107541321
[(3-fluorophenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250363
1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 175976807
1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride
CID 174776412

Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine?
The IUPAC name of [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine (CID 105250399) is [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine.
What is the SMILES notation for [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine?
The canonical SMILES for [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine is C=C(C)C(NN)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine?
The InChIKey is KKXHDTNTAYTJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2/c1-6(2)10(17-16)7-4-3-5-8(9(7)12)11(13,14)15/h3-5,10,17H,1,16H2,2H3.
What are the key properties of [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine?
[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine has a molecular weight of 248.22 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine is sourced from PubChem (CID 105250399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).