(2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide

C9H16FNO2 — CID 130621516

IUPAC(2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide
SMILESCC(C)(CF)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C9H16FNO2/c1-9(2,6-10)11-8(12)7-4-3-5-13-7/h7H,3-6H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyRFBSIYQUUABGDJ-ZETCQYMHSA-N
MW189.23 g/mol
LogP1.03
Rot. Bonds3

About (2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide

(2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide (PubChem CID 130621516) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide
PubChem CID130621516
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide
SMILESCC(C)(CF)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C9H16FNO2/c1-9(2,6-10)11-8(12)7-4-3-5-13-7/h7H,3-6H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyRFBSIYQUUABGDJ-ZETCQYMHSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide (CID 130621516) is (2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide is CC(C)(CF)NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide?
The InChIKey is RFBSIYQUUABGDJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-9(2,6-10)11-8(12)7-4-3-5-13-7/h7H,3-6H2,1-2H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide?
(2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide has a molecular weight of 189.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 130621516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).