5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide

C9H15F3N2O3 — CID 82957880

IUPAC5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COCCC(F)(F)F)O1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)3-4-16-5-6-1-2-7(17-6)8(15)14-13/h6-7H,1-5,13H2,(H,14,15)
InChIKeyRAIKNEXHOUMDCC-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.49
Rot. Bonds5

About 5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide

5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide (PubChem CID 82957880) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide
PubChem CID82957880
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COCCC(F)(F)F)O1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)3-4-16-5-6-1-2-7(17-6)8(15)14-13/h6-7H,1-5,13H2,(H,14,15)
InChIKeyRAIKNEXHOUMDCC-UHFFFAOYSA-N
XLogP0.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide
CID 63574550
5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 63576991
5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide
CID 63937604
N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 82959151
5-[[2-methoxyethyl(methyl)amino]methyl]oxolane-2-carbohydrazide
CID 63577680
2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63574823
5-[(2,5-difluorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570371
N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 82958605
5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide
CID 63578014
5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide
CID 63581177
5-[(2,4,5-trichlorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63576364
5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
CID 55214373

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide?
The IUPAC name of 5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide (CID 82957880) is 5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide.
What is the SMILES notation for 5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide?
The canonical SMILES for 5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide is NNC(=O)C1CCC(COCCC(F)(F)F)O1.
What is the InChIKey of 5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide?
The InChIKey is RAIKNEXHOUMDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c10-9(11,12)3-4-16-5-6-1-2-7(17-6)8(15)14-13/h6-7H,1-5,13H2,(H,14,15).
What are the key properties of 5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide?
5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide has a molecular weight of 256.22 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 82957880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).