2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline

C13H10F3NS — CID 103591356

IUPAC2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline
SMILESCc1cc(Sc2cc(F)ccc2F)c(N)cc1F
InChIInChI=1S/C13H10F3NS/c1-7-4-13(11(17)6-10(7)16)18-12-5-8(14)2-3-9(12)15/h2-6H,17H2,1H3
InChIKeyFNOVWFGTXONIGP-UHFFFAOYSA-N
MW269.29 g/mol
LogP4.15
Rot. Bonds2

About 2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline

2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline (PubChem CID 103591356) has the molecular formula C13H10F3NS and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline
PubChem CID103591356
Molecular FormulaC13H10F3NS
Molecular Weight269.29 g/mol
Exact Mass269.05
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline
SMILESCc1cc(Sc2cc(F)ccc2F)c(N)cc1F
InChIInChI=1S/C13H10F3NS/c1-7-4-13(11(17)6-10(7)16)18-12-5-8(14)2-3-9(12)15/h2-6H,17H2,1H3
InChIKeyFNOVWFGTXONIGP-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 54.15
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

2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline
CID 62378200
ethyl 4-amino-3-(2,5-difluorophenyl)sulfanylbenzoate
CID 82779803
2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 63818816
4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide
CID 63357200
2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 55217046
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
CID 43519087
4-(2,5-difluorophenyl)sulfanyl-2,1,3-benzoxadiazol-7-amine
CID 43518925
6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80884389
4-(2,5-difluorophenyl)sulfanyl-2-methylbenzonitrile
CID 81282783
(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370213
5-chloro-2-(2,4-difluorophenyl)sulfanylaniline
CID 43345451
5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline
CID 63597738

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline (CID 103591356) is 2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline is Cc1cc(Sc2cc(F)ccc2F)c(N)cc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline?
The InChIKey is FNOVWFGTXONIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NS/c1-7-4-13(11(17)6-10(7)16)18-12-5-8(14)2-3-9(12)15/h2-6H,17H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline?
2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline has a molecular weight of 269.29 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline is sourced from PubChem (CID 103591356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).