(2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide

C12H13FN2O3 — CID 772334

IUPAC(2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCO1)c1cccc(F)c1
InChIInChI=1S/C12H13FN2O3/c13-9-4-1-3-8(7-9)11(16)14-15-12(17)10-5-2-6-18-10/h1,3-4,7,10H,2,5-6H2,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyQSTMKGJVAITXHX-JTQLQIEISA-N
MW252.24 g/mol
LogP0.77
Rot. Bonds2

About (2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide

(2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide (PubChem CID 772334) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is (2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide
PubChem CID772334
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name(2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCO1)c1cccc(F)c1
InChIInChI=1S/C12H13FN2O3/c13-9-4-1-3-8(7-9)11(16)14-15-12(17)10-5-2-6-18-10/h1,3-4,7,10H,2,5-6H2,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyQSTMKGJVAITXHX-JTQLQIEISA-N
XLogP0.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 3128422
(2R)-N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 7406384
(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396645
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062632
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
(3S)-N'-(3-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7936971
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide
CID 912755
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 49336024
N'-[(2S)-oxolane-2-carbonyl]pyridine-2-carbohydrazide
CID 7405767

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide?
The IUPAC name of (2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide (CID 772334) is (2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide.
What is the SMILES notation for (2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide?
The canonical SMILES for (2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide is O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(F)c1.
What is the InChIKey of (2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide?
The InChIKey is QSTMKGJVAITXHX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-9-4-1-3-8(7-9)11(16)14-15-12(17)10-5-2-6-18-10/h1,3-4,7,10H,2,5-6H2,(H,14,16)(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide?
(2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide has a molecular weight of 252.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 772334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).