1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine

C10H10F4N2 — CID 105250321

IUPAC1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine
SMILESC=CC(NN)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C10H10F4N2/c1-2-8(16-15)6-4-3-5-7(9(6)11)10(12,13)14/h2-5,8,16H,1,15H2
InChIKeyLPPABKWXCYHDQR-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.53
Rot. Bonds3

About 1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine

1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine (PubChem CID 105250321) has the molecular formula C10H10F4N2 and a molecular weight of 234.20 g/mol. Its IUPAC name is 1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine.

Molecular Properties

Compound Name1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine
PubChem CID105250321
Molecular FormulaC10H10F4N2
Molecular Weight234.20 g/mol
Exact Mass234.08
IUPAC Name1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine
SMILESC=CC(NN)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C10H10F4N2/c1-2-8(16-15)6-4-3-5-7(9(6)11)10(12,13)14/h2-5,8,16H,1,15H2
InChIKeyLPPABKWXCYHDQR-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.53
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-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine
CID 105250399
1-[2-fluoro-3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79016252
[2-cyclobutyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105250370
[[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methyl]hydrazine
CID 105250323
[(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
1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine
CID 105250334
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171242278
(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]-pyrazin-2-ylmethyl]hydrazine
CID 105250401

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine?
The IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine (CID 105250321) is 1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine.
What is the SMILES notation for 1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine?
The canonical SMILES for 1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine is C=CC(NN)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine?
The InChIKey is LPPABKWXCYHDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2/c1-2-8(16-15)6-4-3-5-7(9(6)11)10(12,13)14/h2-5,8,16H,1,15H2.
What are the key properties of 1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine?
1-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-enylhydrazine has a molecular weight of 234.20 g/mol, XLogP of 2.53, 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]prop-2-enylhydrazine is sourced from PubChem (CID 105250321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).