2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide

C8H14FNO3 — CID 126992722

IUPAC2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide
SMILESCC(C)(F)C(=O)NC1COCC1O
InChIInChI=1S/C8H14FNO3/c1-8(2,9)7(12)10-5-3-13-4-6(5)11/h5-6,11H,3-4H2,1-2H3,(H,10,12)
InChIKeyNKKLHSIAQCFGIC-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.39
Rot. Bonds2

About 2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide

2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide (PubChem CID 126992722) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide
PubChem CID126992722
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide
SMILESCC(C)(F)C(=O)NC1COCC1O
InChIInChI=1S/C8H14FNO3/c1-8(2,9)7(12)10-5-3-13-4-6(5)11/h5-6,11H,3-4H2,1-2H3,(H,10,12)
InChIKeyNKKLHSIAQCFGIC-UHFFFAOYSA-N
XLogP-0.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide?
The IUPAC name of 2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide (CID 126992722) is 2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide.
What is the SMILES notation for 2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide?
The canonical SMILES for 2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide is CC(C)(F)C(=O)NC1COCC1O.
What is the InChIKey of 2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide?
The InChIKey is NKKLHSIAQCFGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-8(2,9)7(12)10-5-3-13-4-6(5)11/h5-6,11H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide?
2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide has a molecular weight of 191.20 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-hydroxyoxolan-3-yl)-2-methylpropanamide is sourced from PubChem (CID 126992722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).