2-(2,4-difluorophenoxy)-4-methylsulfanylaniline

C13H11F2NOS — CID 10264962

IUPAC2-(2,4-difluorophenoxy)-4-methylsulfanylaniline
SMILESCSc1ccc(N)c(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C13H11F2NOS/c1-18-9-3-4-11(16)13(7-9)17-12-5-2-8(14)6-10(12)15/h2-7H,16H2,1H3
InChIKeyAWXUSIMFTNSBDV-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.06
Rot. Bonds3

About 2-(2,4-difluorophenoxy)-4-methylsulfanylaniline

2-(2,4-difluorophenoxy)-4-methylsulfanylaniline (PubChem CID 10264962) has the molecular formula C13H11F2NOS and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-4-methylsulfanylaniline.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-4-methylsulfanylaniline
PubChem CID10264962
Molecular FormulaC13H11F2NOS
Molecular Weight267.30 g/mol
Exact Mass267.05
IUPAC Name2-(2,4-difluorophenoxy)-4-methylsulfanylaniline
SMILESCSc1ccc(N)c(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C13H11F2NOS/c1-18-9-3-4-11(16)13(7-9)17-12-5-2-8(14)6-10(12)15/h2-7H,16H2,1H3
InChIKeyAWXUSIMFTNSBDV-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-4-methylsulfanylaniline?
The IUPAC name of 2-(2,4-difluorophenoxy)-4-methylsulfanylaniline (CID 10264962) is 2-(2,4-difluorophenoxy)-4-methylsulfanylaniline.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-4-methylsulfanylaniline?
The canonical SMILES for 2-(2,4-difluorophenoxy)-4-methylsulfanylaniline is CSc1ccc(N)c(Oc2ccc(F)cc2F)c1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-4-methylsulfanylaniline?
The InChIKey is AWXUSIMFTNSBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NOS/c1-18-9-3-4-11(16)13(7-9)17-12-5-2-8(14)6-10(12)15/h2-7H,16H2,1H3.
What are the key properties of 2-(2,4-difluorophenoxy)-4-methylsulfanylaniline?
2-(2,4-difluorophenoxy)-4-methylsulfanylaniline has a molecular weight of 267.30 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-4-methylsulfanylaniline is sourced from PubChem (CID 10264962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).