N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide

C13H14F2N2O4 — CID 86985910

IUPACN'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCCO1)c1ccccc1OC(F)F
InChIInChI=1S/C13H14F2N2O4/c14-13(15)21-9-5-2-1-4-8(9)11(18)16-17-12(19)10-6-3-7-20-10/h1-2,4-5,10,13H,3,6-7H2,(H,16,18)(H,17,19)
InChIKeyWPKQALSJNHHYGA-UHFFFAOYSA-N
MW300.26 g/mol
LogP1.23
Rot. Bonds4

About N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide

N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide (PubChem CID 86985910) has the molecular formula C13H14F2N2O4 and a molecular weight of 300.26 g/mol. Its IUPAC name is N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide
PubChem CID86985910
Molecular FormulaC13H14F2N2O4
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC NameN'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCCO1)c1ccccc1OC(F)F
InChIInChI=1S/C13H14F2N2O4/c14-13(15)21-9-5-2-1-4-8(9)11(18)16-17-12(19)10-6-3-7-20-10/h1-2,4-5,10,13H,3,6-7H2,(H,16,18)(H,17,19)
InChIKeyWPKQALSJNHHYGA-UHFFFAOYSA-N
XLogP1.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
CID 748723
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
2-[[2-(difluoromethoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013865
N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide
CID 87045357
(2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide
CID 772334
N'-[(2S)-oxolane-2-carbonyl]pyridine-2-carbohydrazide
CID 7405767
N'-(cyclohexanecarbonyl)-2-propan-2-yloxybenzohydrazide
CID 17045681
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide
CID 51922809
(2S)-2-cyano-3-[2-(difluoromethoxy)phenyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 98449581
N'-(2-naphthalen-1-yloxyacetyl)oxolane-2-carbohydrazide
CID 2870823
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824

Frequently Asked Questions

What is the IUPAC name of N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide?
The IUPAC name of N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide (CID 86985910) is N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide.
What is the SMILES notation for N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide?
The canonical SMILES for N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide is O=C(NNC(=O)C1CCCO1)c1ccccc1OC(F)F.
What is the InChIKey of N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide?
The InChIKey is WPKQALSJNHHYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O4/c14-13(15)21-9-5-2-1-4-8(9)11(18)16-17-12(19)10-6-3-7-20-10/h1-2,4-5,10,13H,3,6-7H2,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide?
N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide has a molecular weight of 300.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 86985910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).