1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine

C11H14F4N2 — CID 105250213

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine
SMILESCCCC(NN)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C11H14F4N2/c1-2-3-10(17-16)8-6-7(11(13,14)15)4-5-9(8)12/h4-6,10,17H,2-3,16H2,1H3
InChIKeyJBUHGDPQPSSELP-UHFFFAOYSA-N
MW250.24 g/mol
LogP3.15
Rot. Bonds4

About 1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine

1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine (PubChem CID 105250213) has the molecular formula C11H14F4N2 and a molecular weight of 250.24 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine
PubChem CID105250213
Molecular FormulaC11H14F4N2
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine
SMILESCCCC(NN)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C11H14F4N2/c1-2-3-10(17-16)8-6-7(11(13,14)15)4-5-9(8)12/h4-6,10,17H,2-3,16H2,1H3
InChIKeyJBUHGDPQPSSELP-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methoxyethyl]hydrazine
CID 105250282
2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline
CID 105264836
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 171207355
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207356
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171209518
[(4-fluorophenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250257
(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171229157
[cyclopropyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250205
[(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250266
2-fluoro-1-hexan-3-yl-4-(trifluoromethyl)benzene
CID 170267047
1-(4-fluoro-3-methylphenyl)butylhydrazine
CID 105202039
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171209520

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine (CID 105250213) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine is CCCC(NN)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine?
The InChIKey is JBUHGDPQPSSELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2/c1-2-3-10(17-16)8-6-7(11(13,14)15)4-5-9(8)12/h4-6,10,17H,2-3,16H2,1H3.
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine?
1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine has a molecular weight of 250.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine is sourced from PubChem (CID 105250213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).