N-(trifluoromethylsulfanyl)prop-2-enamide

C4H4F3NOS — CID 146374397

IUPACN-(trifluoromethylsulfanyl)prop-2-enamide
SMILESC=CC(=O)NSC(F)(F)F
InChIInChI=1S/C4H4F3NOS/c1-2-3(9)8-10-4(5,6)7/h2H,1H2,(H,8,9)
InChIKeyUOUWUJQWICHBQV-UHFFFAOYSA-N
MW171.14 g/mol
LogP1.46
Rot. Bonds2

About N-(trifluoromethylsulfanyl)prop-2-enamide

N-(trifluoromethylsulfanyl)prop-2-enamide (PubChem CID 146374397) has the molecular formula C4H4F3NOS and a molecular weight of 171.14 g/mol. Its IUPAC name is N-(trifluoromethylsulfanyl)prop-2-enamide.

Molecular Properties

Compound NameN-(trifluoromethylsulfanyl)prop-2-enamide
PubChem CID146374397
Molecular FormulaC4H4F3NOS
Molecular Weight171.14 g/mol
Exact Mass171.00
IUPAC NameN-(trifluoromethylsulfanyl)prop-2-enamide
SMILESC=CC(=O)NSC(F)(F)F
InChIInChI=1S/C4H4F3NOS/c1-2-3(9)8-10-4(5,6)7/h2H,1H2,(H,8,9)
InChIKeyUOUWUJQWICHBQV-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 51.46
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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Related Compounds

4,4,4-Trifluorocrotonamide
CID 5708781
Prop-2-enamide;1,1,2,2-tetrafluoroethene
CID 88727039
CID 2777104
CID 2777104
N-(trifluoromethyl)prop-2-enamide
CID 87555952
N-(trifluoromethylsulfonyl)prop-2-enamide
CID 87697987
(Z)-N-(disulfanyl)-3-fluoroprop-2-enamide
CID 126487550
3,3-difluoro-N-sulfanylprop-2-enamide
CID 126621002
3,3-difluoro-N-methylsulfanylprop-2-enamide
CID 134338985
(Z)-3-fluoro-N-sulfanylprop-2-enamide
CID 139570635
(E)-3-fluoro-N-methylsulfinothioylprop-2-enamide
CID 146637522
(E)-3-fluoro-N-sulfanylprop-2-enamide
CID 156436189
Prop-2-enamide;2,2,2-trifluoroacetamide
CID 157967761

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfanyl)prop-2-enamide?
The IUPAC name of N-(trifluoromethylsulfanyl)prop-2-enamide (CID 146374397) is N-(trifluoromethylsulfanyl)prop-2-enamide.
What is the SMILES notation for N-(trifluoromethylsulfanyl)prop-2-enamide?
The canonical SMILES for N-(trifluoromethylsulfanyl)prop-2-enamide is C=CC(=O)NSC(F)(F)F.
What is the InChIKey of N-(trifluoromethylsulfanyl)prop-2-enamide?
The InChIKey is UOUWUJQWICHBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NOS/c1-2-3(9)8-10-4(5,6)7/h2H,1H2,(H,8,9).
What are the key properties of N-(trifluoromethylsulfanyl)prop-2-enamide?
N-(trifluoromethylsulfanyl)prop-2-enamide has a molecular weight of 171.14 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfanyl)prop-2-enamide is sourced from PubChem (CID 146374397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).