3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide

C9H15F2NOS — CID 126771255

IUPAC3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide
SMILESCC1CSCC1NC(=O)CC(C)(F)F
InChIInChI=1S/C9H15F2NOS/c1-6-4-14-5-7(6)12-8(13)3-9(2,10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyWLMNPRXFILXEMX-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.90
Rot. Bonds3

About 3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide

3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide (PubChem CID 126771255) has the molecular formula C9H15F2NOS and a molecular weight of 223.29 g/mol. Its IUPAC name is 3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide.

Molecular Properties

Compound Name3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide
PubChem CID126771255
Molecular FormulaC9H15F2NOS
Molecular Weight223.29 g/mol
Exact Mass223.08
IUPAC Name3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide
SMILESCC1CSCC1NC(=O)CC(C)(F)F
InChIInChI=1S/C9H15F2NOS/c1-6-4-14-5-7(6)12-8(13)3-9(2,10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyWLMNPRXFILXEMX-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide?
The IUPAC name of 3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide (CID 126771255) is 3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide.
What is the SMILES notation for 3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide?
The canonical SMILES for 3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide is CC1CSCC1NC(=O)CC(C)(F)F.
What is the InChIKey of 3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide?
The InChIKey is WLMNPRXFILXEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NOS/c1-6-4-14-5-7(6)12-8(13)3-9(2,10)11/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide?
3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide has a molecular weight of 223.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(4-methylthiolan-3-yl)butanamide is sourced from PubChem (CID 126771255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).