2-(1-fluorobutyl)benzohydrazide

C11H15FN2O — CID 146469661

IUPAC2-(1-fluorobutyl)benzohydrazide
SMILESCCCC(F)c1ccccc1C(=O)NN
InChIInChI=1S/C11H15FN2O/c1-2-5-10(12)8-6-3-4-7-9(8)11(15)14-13/h3-4,6-7,10H,2,5,13H2,1H3,(H,14,15)
InChIKeyLHKKSVPHRXWKHS-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.10
Rot. Bonds4

About 2-(1-fluorobutyl)benzohydrazide

2-(1-fluorobutyl)benzohydrazide (PubChem CID 146469661) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(1-fluorobutyl)benzohydrazide.

Molecular Properties

Compound Name2-(1-fluorobutyl)benzohydrazide
PubChem CID146469661
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-(1-fluorobutyl)benzohydrazide
SMILESCCCC(F)c1ccccc1C(=O)NN
InChIInChI=1S/C11H15FN2O/c1-2-5-10(12)8-6-3-4-7-9(8)11(15)14-13/h3-4,6-7,10H,2,5,13H2,1H3,(H,14,15)
InChIKeyLHKKSVPHRXWKHS-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 66859796
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2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorobutyl)benzohydrazide?
The IUPAC name of 2-(1-fluorobutyl)benzohydrazide (CID 146469661) is 2-(1-fluorobutyl)benzohydrazide.
What is the SMILES notation for 2-(1-fluorobutyl)benzohydrazide?
The canonical SMILES for 2-(1-fluorobutyl)benzohydrazide is CCCC(F)c1ccccc1C(=O)NN.
What is the InChIKey of 2-(1-fluorobutyl)benzohydrazide?
The InChIKey is LHKKSVPHRXWKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-2-5-10(12)8-6-3-4-7-9(8)11(15)14-13/h3-4,6-7,10H,2,5,13H2,1H3,(H,14,15).
What are the key properties of 2-(1-fluorobutyl)benzohydrazide?
2-(1-fluorobutyl)benzohydrazide has a molecular weight of 210.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorobutyl)benzohydrazide is sourced from PubChem (CID 146469661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).