4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide

C11H12F4N2O2 — CID 107458270

IUPAC4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide
SMILESNNC(=O)c1ccc(F)c(COCCC(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O2/c12-9-2-1-7(10(18)17-16)5-8(9)6-19-4-3-11(13,14)15/h1-2,5H,3-4,6,16H2,(H,17,18)
InChIKeyNJVAPTVVJBZBCW-UHFFFAOYSA-N
MW280.22 g/mol
LogP1.90
Rot. Bonds5

About 4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide

4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide (PubChem CID 107458270) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide
PubChem CID107458270
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC Name4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide
SMILESNNC(=O)c1ccc(F)c(COCCC(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O2/c12-9-2-1-7(10(18)17-16)5-8(9)6-19-4-3-11(13,14)15/h1-2,5H,3-4,6,16H2,(H,17,18)
InChIKeyNJVAPTVVJBZBCW-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

4-fluoro-3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide
CID 107458332
4-fluoro-3-(heptoxymethyl)benzohydrazide
CID 107458143
2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide
CID 82957174
4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid
CID 63072945
3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458205
4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 107458202
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
3-fluoro-N'-hydroxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 82955096
3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458149
4-fluoro-3-[(3-methoxy-3-methylbutoxy)methyl]benzenecarbothioamide
CID 106665750
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide
CID 119598512
3-(2-cyclopropylethoxymethyl)-4-fluorobenzoic acid
CID 106199330

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide?
The IUPAC name of 4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide (CID 107458270) is 4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide.
What is the SMILES notation for 4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide?
The canonical SMILES for 4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide is NNC(=O)c1ccc(F)c(COCCC(F)(F)F)c1.
What is the InChIKey of 4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide?
The InChIKey is NJVAPTVVJBZBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c12-9-2-1-7(10(18)17-16)5-8(9)6-19-4-3-11(13,14)15/h1-2,5H,3-4,6,16H2,(H,17,18).
What are the key properties of 4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide?
4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide has a molecular weight of 280.22 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide is sourced from PubChem (CID 107458270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).