4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide

C11H12F4N2O2 — CID 844060

IUPAC4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide
SMILESNNC(=O)c1ccc(COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-19-5-7-1-3-8(4-2-7)9(18)17-16/h1-4,10H,5-6,16H2,(H,17,18)
InChIKeySLKWGDWQILHAFG-UHFFFAOYSA-N
MW280.22 g/mol
LogP1.71
Rot. Bonds6

About 4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide

4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide (PubChem CID 844060) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide
PubChem CID844060
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC Name4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide
SMILESNNC(=O)c1ccc(COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-19-5-7-1-3-8(4-2-7)9(18)17-16/h1-4,10H,5-6,16H2,(H,17,18)
InChIKeySLKWGDWQILHAFG-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl 4-(hydrazinecarbonyl)benzoate
CID 596004
3-[(2,2,3,3-Tetrafluoropropoxy)methyl]benzohydrazide
CID 950009
4-[(2,2,2-Trifluoroethoxy)methyl]benzohydrazide
CID 3611837
Ethyl 4-{[2-(3-cyclohexen-1-ylcarbonyl)hydrazino]carbonyl}benzoate
CID 11835257
Methyl 4-(hydrazinecarbonyl)benzoate hydrochloride
CID 130405979
(4-Carbamoylphenyl)methyl 3,5-bis(trifluoromethyl)benzoate
CID 27355692
Ethyl (4-hydrazinocarbonyl)benzoate
CID 13351511
Ethyl 4-carbamoylbenzoate
CID 11194872
1,4-Benzenedicarboxylic acid, 1-methyl ester, 4-[2-[4-(methoxycarbonyl)benzoyl]hydrazide]
CID 90330
(4-Carbamoylphenyl)methyl 2,6-difluorobenzoate
CID 27313401
Cyanomethyl 4-carbamoylbenzoate
CID 30799776
[(2S)-1,1,1-trifluoropropan-2-yl] 4-carbamoylbenzoate
CID 97585536

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide (CID 844060) is 4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide is NNC(=O)c1ccc(COCC(F)(F)C(F)F)cc1.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide?
The InChIKey is SLKWGDWQILHAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-19-5-7-1-3-8(4-2-7)9(18)17-16/h1-4,10H,5-6,16H2,(H,17,18).
What are the key properties of 4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide?
4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide has a molecular weight of 280.22 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropoxymethyl)benzohydrazide is sourced from PubChem (CID 844060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).