1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine

C15H22F4N2 — CID 105250334

IUPAC1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine
SMILESCCCCCCCC(NN)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H22F4N2/c1-2-3-4-5-6-10-13(21-20)11-8-7-9-12(14(11)16)15(17,18)19/h7-9,13,21H,2-6,10,20H2,1H3
InChIKeyJYMMTHBHPCZTBF-UHFFFAOYSA-N
MW306.35 g/mol
LogP4.71
Rot. Bonds8

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

1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine (PubChem CID 105250334) has the molecular formula C15H22F4N2 and a molecular weight of 306.35 g/mol. Its IUPAC name is 1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine.

Molecular Properties

Compound Name1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine
PubChem CID105250334
Molecular FormulaC15H22F4N2
Molecular Weight306.35 g/mol
Exact Mass306.17
IUPAC Name1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine
SMILESCCCCCCCC(NN)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H22F4N2/c1-2-3-4-5-6-10-13(21-20)11-8-7-9-12(14(11)16)15(17,18)19/h7-9,13,21H,2-6,10,20H2,1H3
InChIKeyJYMMTHBHPCZTBF-UHFFFAOYSA-N
XLogP4.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-3-methylphenyl)octylhydrazine
CID 105293647
1-(2-fluoro-3-methylphenyl)undecylhydrazine
CID 105298411
1-(2,3-difluorophenyl)hexylhydrazine
CID 105294688
1-(3-bromo-2-fluorophenyl)octylhydrazine
CID 106649741
1-(2-fluorophenyl)dodecylhydrazine
CID 105292285
1-(2,3-difluorophenyl)pentylhydrazine
CID 105245668
1-(2-tert-butylphenyl)hexylhydrazine
CID 105294636
1-(2-bromo-3-fluorophenyl)undecylhydrazine
CID 105298339
1-[4-(trifluoromethyl)-3-pyridinyl]nonylhydrazine
CID 102710491
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pentan-1-amine
CID 171227373
1-(2,3-dimethylphenyl)heptylhydrazine
CID 105293889
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171227374

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine?
The IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine (CID 105250334) is 1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine.
What is the SMILES notation for 1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine?
The canonical SMILES for 1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine is CCCCCCCC(NN)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine?
The InChIKey is JYMMTHBHPCZTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F4N2/c1-2-3-4-5-6-10-13(21-20)11-8-7-9-12(14(11)16)15(17,18)19/h7-9,13,21H,2-6,10,20H2,1H3.
What are the key properties of 1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine?
1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine has a molecular weight of 306.35 g/mol, XLogP of 4.71, 8 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]octylhydrazine is sourced from PubChem (CID 105250334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).