N-(difluoromethyl)-2-sulfanylacetamide

C3H5F2NOS — CID 88658009

IUPACN-(difluoromethyl)-2-sulfanylacetamide
SMILESO=C(CS)NC(F)F
InChIInChI=1S/C3H5F2NOS/c4-3(5)6-2(7)1-8/h3,8H,1H2,(H,6,7)
InChIKeyYXKKZJZXSCIHPA-UHFFFAOYSA-N
MW141.14 g/mol
LogP0.25
Rot. Bonds2

About N-(difluoromethyl)-2-sulfanylacetamide

N-(difluoromethyl)-2-sulfanylacetamide (PubChem CID 88658009) has the molecular formula C3H5F2NOS and a molecular weight of 141.14 g/mol. Its IUPAC name is N-(difluoromethyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(difluoromethyl)-2-sulfanylacetamide
PubChem CID88658009
Molecular FormulaC3H5F2NOS
Molecular Weight141.14 g/mol
Exact Mass141.01
IUPAC NameN-(difluoromethyl)-2-sulfanylacetamide
SMILESO=C(CS)NC(F)F
InChIInChI=1S/C3H5F2NOS/c4-3(5)6-2(7)1-8/h3,8H,1H2,(H,6,7)
InChIKeyYXKKZJZXSCIHPA-UHFFFAOYSA-N
XLogP0.25
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-2-sulfanylacetamide?
The IUPAC name of N-(difluoromethyl)-2-sulfanylacetamide (CID 88658009) is N-(difluoromethyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(difluoromethyl)-2-sulfanylacetamide?
The canonical SMILES for N-(difluoromethyl)-2-sulfanylacetamide is O=C(CS)NC(F)F.
What is the InChIKey of N-(difluoromethyl)-2-sulfanylacetamide?
The InChIKey is YXKKZJZXSCIHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2NOS/c4-3(5)6-2(7)1-8/h3,8H,1H2,(H,6,7).
What are the key properties of N-(difluoromethyl)-2-sulfanylacetamide?
N-(difluoromethyl)-2-sulfanylacetamide has a molecular weight of 141.14 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-2-sulfanylacetamide is sourced from PubChem (CID 88658009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).