2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide

C9H16FNOS — CID 130165216

IUPAC2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide
SMILESCC(C)(F)C(=O)NCC1CCCS1
InChIInChI=1S/C9H16FNOS/c1-9(2,10)8(12)11-6-7-4-3-5-13-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyVCDJLWCFQYSIEX-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.75
Rot. Bonds3

About 2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide

2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide (PubChem CID 130165216) has the molecular formula C9H16FNOS and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide
PubChem CID130165216
Molecular FormulaC9H16FNOS
Molecular Weight205.30 g/mol
Exact Mass205.09
IUPAC Name2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide
SMILESCC(C)(F)C(=O)NCC1CCCS1
InChIInChI=1S/C9H16FNOS/c1-9(2,10)8(12)11-6-7-4-3-5-13-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyVCDJLWCFQYSIEX-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide (CID 130165216) is 2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide is CC(C)(F)C(=O)NCC1CCCS1.
What is the InChIKey of 2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide?
The InChIKey is VCDJLWCFQYSIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNOS/c1-9(2,10)8(12)11-6-7-4-3-5-13-7/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide?
2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide has a molecular weight of 205.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide is sourced from PubChem (CID 130165216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).