3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide

C10H16FNO2 — CID 123448044

IUPAC3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide
SMILESCC(F)=C(C)C(=O)NC1CCOCC1
InChIInChI=1S/C10H16FNO2/c1-7(8(2)11)10(13)12-9-3-5-14-6-4-9/h9H,3-6H2,1-2H3,(H,12,13)
InChIKeyAWTBKBSHWPPYNA-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.54
Rot. Bonds2

About 3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide

3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide (PubChem CID 123448044) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide
PubChem CID123448044
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide
SMILESCC(F)=C(C)C(=O)NC1CCOCC1
InChIInChI=1S/C10H16FNO2/c1-7(8(2)11)10(13)12-9-3-5-14-6-4-9/h9H,3-6H2,1-2H3,(H,12,13)
InChIKeyAWTBKBSHWPPYNA-UHFFFAOYSA-N
XLogP1.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide?
The IUPAC name of 3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide (CID 123448044) is 3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide.
What is the SMILES notation for 3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide?
The canonical SMILES for 3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide is CC(F)=C(C)C(=O)NC1CCOCC1.
What is the InChIKey of 3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide?
The InChIKey is AWTBKBSHWPPYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-7(8(2)11)10(13)12-9-3-5-14-6-4-9/h9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide?
3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide has a molecular weight of 201.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide is sourced from PubChem (CID 123448044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).