N-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline

C10H10ClF2NS — CID 107899594

IUPACN-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline
SMILESFC(F)Sc1ccccc1NC/C=C/Cl
InChIInChI=1S/C10H10ClF2NS/c11-6-3-7-14-8-4-1-2-5-9(8)15-10(12)13/h1-6,10,14H,7H2/b6-3+
InChIKeyPWDIAJPDBGWLCK-ZZXKWVIFSA-N
MW249.71 g/mol
LogP4.17
Rot. Bonds5

About N-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline

N-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline (PubChem CID 107899594) has the molecular formula C10H10ClF2NS and a molecular weight of 249.71 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline
PubChem CID107899594
Molecular FormulaC10H10ClF2NS
Molecular Weight249.71 g/mol
Exact Mass249.02
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline
SMILESFC(F)Sc1ccccc1NC/C=C/Cl
InChIInChI=1S/C10H10ClF2NS/c11-6-3-7-14-8-4-1-2-5-9(8)15-10(12)13/h1-6,10,14H,7H2/b6-3+
InChIKeyPWDIAJPDBGWLCK-ZZXKWVIFSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline 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

(E)-4-[2-(difluoromethylsulfanyl)anilino]but-2-enoic acid
CID 103232604
N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline
CID 103791947
N-[(E)-3-chloroprop-2-enyl]-2-methyl-3-methylsulfanylaniline
CID 131237399
2-(difluoromethylsulfanyl)-N-methylaniline
CID 28573572
methyl (Z)-4-[2-(difluoromethylsulfanyl)anilino]-2-ethylbut-2-enoate
CID 103232608
2-(difluoromethylsulfanyl)-N-(4,4,4-trifluorobutyl)aniline
CID 115513442
N-[[4-(difluoromethyl)phenyl]methyl]-2-(difluoromethylsulfanyl)aniline
CID 115523404
3-[2-(difluoromethylsulfanyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414336
1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol
CID 60896352
2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline
CID 63264817
2-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline
CID 43095111
2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline
CID 114014037

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline (CID 107899594) is N-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline is FC(F)Sc1ccccc1NC/C=C/Cl.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline?
The InChIKey is PWDIAJPDBGWLCK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H10ClF2NS/c11-6-3-7-14-8-4-1-2-5-9(8)15-10(12)13/h1-6,10,14H,7H2/b6-3+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline?
N-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline has a molecular weight of 249.71 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-2-(difluoromethylsulfanyl)aniline is sourced from PubChem (CID 107899594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).