4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline

C10H10F3NS — CID 170421458

IUPAC4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline
SMILESCSc1c(F)c(N)cc(C)c1C=C(F)F
InChIInChI=1S/C10H10F3NS/c1-5-3-7(14)9(13)10(15-2)6(5)4-8(11)12/h3-4H,14H2,1-2H3
InChIKeyUXCFWXJSWKAYMW-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.68
Rot. Bonds2

About 4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline

4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline (PubChem CID 170421458) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline.

Molecular Properties

Compound Name4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline
PubChem CID170421458
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline
SMILESCSc1c(F)c(N)cc(C)c1C=C(F)F
InChIInChI=1S/C10H10F3NS/c1-5-3-7(14)9(13)10(15-2)6(5)4-8(11)12/h3-4H,14H2,1-2H3
InChIKeyUXCFWXJSWKAYMW-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-2-methyl-6-methylsulfanylbenzaldehyde
CID 170421497
6-amino-2,3-difluoro-4-methylphenol
CID 59444170
4-fluoro-6-methylbenzene-1,3-diamine;hydrate
CID 141142247
5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine
CID 130855379
2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride
CID 19431152
4-amino-2,3-bis(ethenyl)-6-methylphenol
CID 163302498
4-fluoro-6-methylbenzene-1,3-diamine;sulfuric acid;hydrate
CID 22610610
5-amino-4-fluoro-2-methylphenol
CID 10154098
methyl 3-amino-2,6-difluoro-5-methylbenzoate
CID 84669845
6-amino-2,4-difluoro-3-methylsulfanylbenzoic acid
CID 104721925
2-fluoro-5-methyl-4-methylsulfonylaniline
CID 141321054
5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline
CID 90220032

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline?
The IUPAC name of 4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline (CID 170421458) is 4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline.
What is the SMILES notation for 4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline?
The canonical SMILES for 4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline is CSc1c(F)c(N)cc(C)c1C=C(F)F.
What is the InChIKey of 4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline?
The InChIKey is UXCFWXJSWKAYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c1-5-3-7(14)9(13)10(15-2)6(5)4-8(11)12/h3-4H,14H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline?
4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline has a molecular weight of 233.26 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethenyl)-2-fluoro-5-methyl-3-methylsulfanylaniline is sourced from PubChem (CID 170421458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).