N'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide

C12H13F3N2O — CID 146447607

IUPACN'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide
SMILESO=C(NNC1(C(F)(F)F)CCC1)c1ccccc1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)11(7-4-8-11)17-16-10(18)9-5-2-1-3-6-9/h1-3,5-6,17H,4,7-8H2,(H,16,18)
InChIKeyYWFNSDOXIJMQFI-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.41
Rot. Bonds3

About N'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide

N'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide (PubChem CID 146447607) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is N'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide.

Molecular Properties

Compound NameN'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide
PubChem CID146447607
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC NameN'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide
SMILESO=C(NNC1(C(F)(F)F)CCC1)c1ccccc1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)11(7-4-8-11)17-16-10(18)9-5-2-1-3-6-9/h1-3,5-6,17H,4,7-8H2,(H,16,18)
InChIKeyYWFNSDOXIJMQFI-UHFFFAOYSA-N
XLogP2.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide?
The IUPAC name of N'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide (CID 146447607) is N'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide.
What is the SMILES notation for N'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide?
The canonical SMILES for N'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide is O=C(NNC1(C(F)(F)F)CCC1)c1ccccc1.
What is the InChIKey of N'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide?
The InChIKey is YWFNSDOXIJMQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)11(7-4-8-11)17-16-10(18)9-5-2-1-3-6-9/h1-3,5-6,17H,4,7-8H2,(H,16,18).
What are the key properties of N'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide?
N'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide has a molecular weight of 258.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide is sourced from PubChem (CID 146447607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).