2,2-difluoro-N-(thian-4-ylmethyl)acetamide

C8H13F2NOS — CID 103516063

IUPAC2,2-difluoro-N-(thian-4-ylmethyl)acetamide
SMILESO=C(NCC1CCSCC1)C(F)F
InChIInChI=1S/C8H13F2NOS/c9-7(10)8(12)11-5-6-1-3-13-4-2-6/h6-7H,1-5H2,(H,11,12)
InChIKeyJVHDIWLETKZBNO-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.51
Rot. Bonds3

About 2,2-difluoro-N-(thian-4-ylmethyl)acetamide

2,2-difluoro-N-(thian-4-ylmethyl)acetamide (PubChem CID 103516063) has the molecular formula C8H13F2NOS and a molecular weight of 209.26 g/mol. Its IUPAC name is 2,2-difluoro-N-(thian-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(thian-4-ylmethyl)acetamide
PubChem CID103516063
Molecular FormulaC8H13F2NOS
Molecular Weight209.26 g/mol
Exact Mass209.07
IUPAC Name2,2-difluoro-N-(thian-4-ylmethyl)acetamide
SMILESO=C(NCC1CCSCC1)C(F)F
InChIInChI=1S/C8H13F2NOS/c9-7(10)8(12)11-5-6-1-3-13-4-2-6/h6-7H,1-5H2,(H,11,12)
InChIKeyJVHDIWLETKZBNO-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-N-(thian-4-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(cyclobutylmethyl)-2-(trifluoromethylsulfanyl)acetamide
CID 51078951
2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]acetamide
CID 21026487
N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide
CID 90338985
2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 71983925
2,2,2-trifluoro-N-(thian-2-ylmethyl)acetamide
CID 80612943
(2R)-2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 95933849
(2S)-2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 95933850
2,2-difluoro-N-(thian-2-ylmethyl)acetamide
CID 103515852
N-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide
CID 103516065
2,2-difluoro-N-(thian-3-yl)acetamide
CID 103516076
2,2-difluoro-N-(thian-4-yl)acetamide
CID 103516077
N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 103630028

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(thian-4-ylmethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(thian-4-ylmethyl)acetamide (CID 103516063) is 2,2-difluoro-N-(thian-4-ylmethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(thian-4-ylmethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(thian-4-ylmethyl)acetamide is O=C(NCC1CCSCC1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(thian-4-ylmethyl)acetamide?
The InChIKey is JVHDIWLETKZBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NOS/c9-7(10)8(12)11-5-6-1-3-13-4-2-6/h6-7H,1-5H2,(H,11,12).
What are the key properties of 2,2-difluoro-N-(thian-4-ylmethyl)acetamide?
2,2-difluoro-N-(thian-4-ylmethyl)acetamide has a molecular weight of 209.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(thian-4-ylmethyl)acetamide is sourced from PubChem (CID 103516063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).