3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide

C9H12FNO2 — CID 130659235

IUPAC3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide
SMILESC#CCN(C)C(=O)C1(F)CCOC1
InChIInChI=1S/C9H12FNO2/c1-3-5-11(2)8(12)9(10)4-6-13-7-9/h1H,4-7H2,2H3
InChIKeyHWUQBIJUYYOXGK-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.21
Rot. Bonds2

About 3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide

3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide (PubChem CID 130659235) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide
PubChem CID130659235
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide
SMILESC#CCN(C)C(=O)C1(F)CCOC1
InChIInChI=1S/C9H12FNO2/c1-3-5-11(2)8(12)9(10)4-6-13-7-9/h1H,4-7H2,2H3
InChIKeyHWUQBIJUYYOXGK-UHFFFAOYSA-N
XLogP0.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide (CID 130659235) is 3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide is C#CCN(C)C(=O)C1(F)CCOC1.
What is the InChIKey of 3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide?
The InChIKey is HWUQBIJUYYOXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-3-5-11(2)8(12)9(10)4-6-13-7-9/h1H,4-7H2,2H3.
What are the key properties of 3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide?
3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide has a molecular weight of 185.20 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-prop-2-ynyloxolane-3-carboxamide is sourced from PubChem (CID 130659235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).