N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide

C14H15F3N2O4 — CID 60556517

IUPACN'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NNC(=O)C1CCCO1
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)23-10-5-3-9(4-6-10)8-12(20)18-19-13(21)11-2-1-7-22-11/h3-6,11H,1-2,7-8H2,(H,18,20)(H,19,21)
InChIKeyBTYPBJXGWTTYFJ-UHFFFAOYSA-N
MW332.28 g/mol
LogP1.45
Rot. Bonds4

About N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide

N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide (PubChem CID 60556517) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide
PubChem CID60556517
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC NameN'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NNC(=O)C1CCCO1
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)23-10-5-3-9(4-6-10)8-12(20)18-19-13(21)11-2-1-7-22-11/h3-6,11H,1-2,7-8H2,(H,18,20)(H,19,21)
InChIKeyBTYPBJXGWTTYFJ-UHFFFAOYSA-N
XLogP1.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 51.45
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

N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
CID 5343509
N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 4878412
(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide
CID 40562072
N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide
CID 86991486
N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide
CID 47189407
N-[3-[[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111083065
1-methyl-3-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]urea
CID 47384187
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CID 103543650
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide
CID 108541899
1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65329809
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide?
The IUPAC name of N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide (CID 60556517) is N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide.
What is the SMILES notation for N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide?
The canonical SMILES for N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide is O=C(Cc1ccc(OC(F)(F)F)cc1)NNC(=O)C1CCCO1.
What is the InChIKey of N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide?
The InChIKey is BTYPBJXGWTTYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4/c15-14(16,17)23-10-5-3-9(4-6-10)8-12(20)18-19-13(21)11-2-1-7-22-11/h3-6,11H,1-2,7-8H2,(H,18,20)(H,19,21).
What are the key properties of N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide?
N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide has a molecular weight of 332.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 60556517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).