N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide

C10H9F2NOS — CID 43616310

IUPACN-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C10H9F2NOS/c1-2-9(14)13-7-5-3-4-6-8(7)15-10(11)12/h2-6,10H,1H2,(H,13,14)
InChIKeyXPYXCJPLXQANCK-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.13
Rot. Bonds4

About N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide

N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide (PubChem CID 43616310) has the molecular formula C10H9F2NOS and a molecular weight of 229.25 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide
PubChem CID43616310
Molecular FormulaC10H9F2NOS
Molecular Weight229.25 g/mol
Exact Mass229.04
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C10H9F2NOS/c1-2-9(14)13-7-5-3-4-6-8(7)15-10(11)12/h2-6,10H,1H2,(H,13,14)
InChIKeyXPYXCJPLXQANCK-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(prop-2-enoylamino)phenyl]disulfanyl]phenyl]prop-2-enamide
CID 91082426
N-[2-(difluoromethylsulfanyl)phenyl]but-2-enamide
CID 78906718
(E)-4-[2-(difluoromethylsulfanyl)anilino]-4-oxobut-2-enoate
CID 2330075
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
N-[2-(difluoromethylsulfanyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78910823
N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide
CID 107020226
N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031
N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide
CID 26180912
N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 52896199
4-[2-(difluoromethylsulfanyl)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496077
N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
N-(2-ethynylphenyl)prop-2-enamide
CID 130014031

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide (CID 43616310) is N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
The InChIKey is XPYXCJPLXQANCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NOS/c1-2-9(14)13-7-5-3-4-6-8(7)15-10(11)12/h2-6,10H,1H2,(H,13,14).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide has a molecular weight of 229.25 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide is sourced from PubChem (CID 43616310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).