3,3-difluoro-N-methylsulfanylprop-2-enamide

C4H5F2NOS — CID 134338985

IUPAC3,3-difluoro-N-methylsulfanylprop-2-enamide
SMILESCSNC(=O)C=C(F)F
InChIInChI=1S/C4H5F2NOS/c1-9-7-4(8)2-3(5)6/h2H,1H3,(H,7,8)
InChIKeyPERCYWURGCIWAW-UHFFFAOYSA-N
MW153.15 g/mol
LogP1.16
Rot. Bonds2

About 3,3-difluoro-N-methylsulfanylprop-2-enamide

3,3-difluoro-N-methylsulfanylprop-2-enamide (PubChem CID 134338985) has the molecular formula C4H5F2NOS and a molecular weight of 153.15 g/mol. Its IUPAC name is 3,3-difluoro-N-methylsulfanylprop-2-enamide.

Molecular Properties

Compound Name3,3-difluoro-N-methylsulfanylprop-2-enamide
PubChem CID134338985
Molecular FormulaC4H5F2NOS
Molecular Weight153.15 g/mol
Exact Mass153.01
IUPAC Name3,3-difluoro-N-methylsulfanylprop-2-enamide
SMILESCSNC(=O)C=C(F)F
InChIInChI=1S/C4H5F2NOS/c1-9-7-4(8)2-3(5)6/h2H,1H3,(H,7,8)
InChIKeyPERCYWURGCIWAW-UHFFFAOYSA-N
XLogP1.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methylsulfanylprop-2-enamide?
The IUPAC name of 3,3-difluoro-N-methylsulfanylprop-2-enamide (CID 134338985) is 3,3-difluoro-N-methylsulfanylprop-2-enamide.
What is the SMILES notation for 3,3-difluoro-N-methylsulfanylprop-2-enamide?
The canonical SMILES for 3,3-difluoro-N-methylsulfanylprop-2-enamide is CSNC(=O)C=C(F)F.
What is the InChIKey of 3,3-difluoro-N-methylsulfanylprop-2-enamide?
The InChIKey is PERCYWURGCIWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NOS/c1-9-7-4(8)2-3(5)6/h2H,1H3,(H,7,8).
What are the key properties of 3,3-difluoro-N-methylsulfanylprop-2-enamide?
3,3-difluoro-N-methylsulfanylprop-2-enamide has a molecular weight of 153.15 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methylsulfanylprop-2-enamide is sourced from PubChem (CID 134338985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).