5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline

C13H11F2NOS — CID 63597738

IUPAC5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline
SMILESCOc1cc(Sc2ccc(F)cc2)c(N)cc1F
InChIInChI=1S/C13H11F2NOS/c1-17-12-7-13(11(16)6-10(12)15)18-9-4-2-8(14)3-5-9/h2-7H,16H2,1H3
InChIKeyBQCODECNMFCVQM-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.71
Rot. Bonds3

About 5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline

5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline (PubChem CID 63597738) has the molecular formula C13H11F2NOS and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline.

Molecular Properties

Compound Name5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline
PubChem CID63597738
Molecular FormulaC13H11F2NOS
Molecular Weight267.30 g/mol
Exact Mass267.05
IUPAC Name5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline
SMILESCOc1cc(Sc2ccc(F)cc2)c(N)cc1F
InChIInChI=1S/C13H11F2NOS/c1-17-12-7-13(11(16)6-10(12)15)18-9-4-2-8(14)3-5-9/h2-7H,16H2,1H3
InChIKeyBQCODECNMFCVQM-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 55217046
N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide
CID 63600011
2-(3-bromophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63598097
2-(2-bromophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63600017
2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63600005
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 63600024
2-(4-bromophenyl)sulfanyl-5-fluoro-4-propoxyaniline
CID 63592470
2-(3,4-difluorophenyl)sulfanyl-4-ethoxy-5-fluoroaniline
CID 63593255
2,5-difluoro-4-methoxyaniline
CID 45090681
ethyl 2-amino-4-fluoro-5-(4-fluorophenyl)sulfanylbenzoate
CID 63423428
5-fluoro-4-methoxy-2-(7H-purin-6-ylsulfanyl)aniline
CID 63600025
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline
CID 63593075

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline?
The IUPAC name of 5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline (CID 63597738) is 5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline.
What is the SMILES notation for 5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline?
The canonical SMILES for 5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline is COc1cc(Sc2ccc(F)cc2)c(N)cc1F.
What is the InChIKey of 5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline?
The InChIKey is BQCODECNMFCVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NOS/c1-17-12-7-13(11(16)6-10(12)15)18-9-4-2-8(14)3-5-9/h2-7H,16H2,1H3.
What are the key properties of 5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline?
5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline has a molecular weight of 267.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline is sourced from PubChem (CID 63597738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).