1-(2-fluoro-3-methylphenyl)undecylhydrazine

C18H31FN2 — CID 105298411

IUPAC1-(2-fluoro-3-methylphenyl)undecylhydrazine
SMILESCCCCCCCCCCC(NN)c1cccc(C)c1F
InChIInChI=1S/C18H31FN2/c1-3-4-5-6-7-8-9-10-14-17(21-20)16-13-11-12-15(2)18(16)19/h11-13,17,21H,3-10,14,20H2,1-2H3
InChIKeySLXVJMPHJTUCHN-UHFFFAOYSA-N
MW294.46 g/mol
LogP5.17
Rot. Bonds11

About 1-(2-fluoro-3-methylphenyl)undecylhydrazine

1-(2-fluoro-3-methylphenyl)undecylhydrazine (PubChem CID 105298411) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)undecylhydrazine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)undecylhydrazine
PubChem CID105298411
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name1-(2-fluoro-3-methylphenyl)undecylhydrazine
SMILESCCCCCCCCCCC(NN)c1cccc(C)c1F
InChIInChI=1S/C18H31FN2/c1-3-4-5-6-7-8-9-10-14-17(21-20)16-13-11-12-15(2)18(16)19/h11-13,17,21H,3-10,14,20H2,1-2H3
InChIKeySLXVJMPHJTUCHN-UHFFFAOYSA-N
XLogP5.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.46
LogP ≤ 55.17
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'}

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Related Compounds

1-(2-fluoro-3-methylphenyl)octylhydrazine
CID 105293647
1-(2,3-dimethylphenyl)heptylhydrazine
CID 105293889
1-(2,3-difluorophenyl)hexylhydrazine
CID 105294688
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
1-(3-bromo-2-fluorophenyl)octylhydrazine
CID 106649741
1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine
CID 105250334
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
1-(2-chloro-3-methylphenyl)hexylhydrazine
CID 105294703
1-(2,3-difluorophenyl)pentylhydrazine
CID 105245668
1-(2-fluorophenyl)dodecylhydrazine
CID 105292285
1-(2-fluoro-3-methylphenyl)undecan-1-ol
CID 115789168
1-(2-bromo-3-fluorophenyl)undecylhydrazine
CID 105298339

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)undecylhydrazine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)undecylhydrazine (CID 105298411) is 1-(2-fluoro-3-methylphenyl)undecylhydrazine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)undecylhydrazine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)undecylhydrazine is CCCCCCCCCCC(NN)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)undecylhydrazine?
The InChIKey is SLXVJMPHJTUCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-3-4-5-6-7-8-9-10-14-17(21-20)16-13-11-12-15(2)18(16)19/h11-13,17,21H,3-10,14,20H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)undecylhydrazine?
1-(2-fluoro-3-methylphenyl)undecylhydrazine has a molecular weight of 294.46 g/mol, XLogP of 5.17, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)undecylhydrazine is sourced from PubChem (CID 105298411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).