4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline

C14H13F2NOS — CID 63675968

IUPAC4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline
SMILESCCOc1cc(Sc2ccc(F)cc2F)ccc1N
InChIInChI=1S/C14H13F2NOS/c1-2-18-13-8-10(4-5-12(13)17)19-14-6-3-9(15)7-11(14)16/h3-8H,2,17H2,1H3
InChIKeyUURDHLBAPJXJLQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.10
Rot. Bonds4

About 4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline

4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline (PubChem CID 63675968) has the molecular formula C14H13F2NOS and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline
PubChem CID63675968
Molecular FormulaC14H13F2NOS
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline
SMILESCCOc1cc(Sc2ccc(F)cc2F)ccc1N
InChIInChI=1S/C14H13F2NOS/c1-2-18-13-8-10(4-5-12(13)17)19-14-6-3-9(15)7-11(14)16/h3-8H,2,17H2,1H3
InChIKeyUURDHLBAPJXJLQ-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.10
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 4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline?
The IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline (CID 63675968) is 4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline is CCOc1cc(Sc2ccc(F)cc2F)ccc1N.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline?
The InChIKey is UURDHLBAPJXJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NOS/c1-2-18-13-8-10(4-5-12(13)17)19-14-6-3-9(15)7-11(14)16/h3-8H,2,17H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline?
4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline has a molecular weight of 281.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline is sourced from PubChem (CID 63675968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).