2-fluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide

C10H18FNOS — CID 130165219

IUPAC2-fluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide
SMILESCC1(CNC(=O)C(C)(C)F)CCCS1
InChIInChI=1S/C10H18FNOS/c1-9(2,11)8(13)12-7-10(3)5-4-6-14-10/h4-7H2,1-3H3,(H,12,13)
InChIKeyGGBDWPSYNXUMQR-UHFFFAOYSA-N
MW219.32 g/mol
LogP2.14
Rot. Bonds3

About 2-fluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide

2-fluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide (PubChem CID 130165219) has the molecular formula C10H18FNOS and a molecular weight of 219.32 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide
PubChem CID130165219
Molecular FormulaC10H18FNOS
Molecular Weight219.32 g/mol
Exact Mass219.11
IUPAC Name2-fluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide
SMILESCC1(CNC(=O)C(C)(C)F)CCCS1
InChIInChI=1S/C10H18FNOS/c1-9(2,11)8(13)12-7-10(3)5-4-6-14-10/h4-7H2,1-3H3,(H,12,13)
InChIKeyGGBDWPSYNXUMQR-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 52.14
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-[(2-methylthiolan-2-yl)methyl]propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide (CID 130165219) is 2-fluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide is CC1(CNC(=O)C(C)(C)F)CCCS1.
What is the InChIKey of 2-fluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide?
The InChIKey is GGBDWPSYNXUMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNOS/c1-9(2,11)8(13)12-7-10(3)5-4-6-14-10/h4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-fluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide?
2-fluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide has a molecular weight of 219.32 g/mol, XLogP of 2.14, 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-[(2-methylthiolan-2-yl)methyl]propanamide is sourced from PubChem (CID 130165219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).