2-fluoro-2-(oxan-3-yl)acetamide

C7H12FNO2 — CID 115012638

IUPAC2-fluoro-2-(oxan-3-yl)acetamide
SMILESNC(=O)C(F)C1CCCOC1
InChIInChI=1S/C7H12FNO2/c8-6(7(9)10)5-2-1-3-11-4-5/h5-6H,1-4H2,(H2,9,10)
InChIKeyWDKOIIRHDKGRGN-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.24
Rot. Bonds2

About 2-fluoro-2-(oxan-3-yl)acetamide

2-fluoro-2-(oxan-3-yl)acetamide (PubChem CID 115012638) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-fluoro-2-(oxan-3-yl)acetamide.

Molecular Properties

Compound Name2-fluoro-2-(oxan-3-yl)acetamide
PubChem CID115012638
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name2-fluoro-2-(oxan-3-yl)acetamide
SMILESNC(=O)C(F)C1CCCOC1
InChIInChI=1S/C7H12FNO2/c8-6(7(9)10)5-2-1-3-11-4-5/h5-6H,1-4H2,(H2,9,10)
InChIKeyWDKOIIRHDKGRGN-UHFFFAOYSA-N
XLogP0.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(oxan-3-yl)acetamide?
The IUPAC name of 2-fluoro-2-(oxan-3-yl)acetamide (CID 115012638) is 2-fluoro-2-(oxan-3-yl)acetamide.
What is the SMILES notation for 2-fluoro-2-(oxan-3-yl)acetamide?
The canonical SMILES for 2-fluoro-2-(oxan-3-yl)acetamide is NC(=O)C(F)C1CCCOC1.
What is the InChIKey of 2-fluoro-2-(oxan-3-yl)acetamide?
The InChIKey is WDKOIIRHDKGRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-6(7(9)10)5-2-1-3-11-4-5/h5-6H,1-4H2,(H2,9,10).
What are the key properties of 2-fluoro-2-(oxan-3-yl)acetamide?
2-fluoro-2-(oxan-3-yl)acetamide has a molecular weight of 161.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 115012638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).