4-fluoro-3-(fluoromethylsulfanyl)aniline

C7H7F2NS — CID 19834502

IUPAC4-fluoro-3-(fluoromethylsulfanyl)aniline
SMILESNc1ccc(F)c(SCF)c1
InChIInChI=1S/C7H7F2NS/c8-4-11-7-3-5(10)1-2-6(7)9/h1-3H,4,10H2
InChIKeyGWVCPFPANNZOOL-UHFFFAOYSA-N
MW175.20 g/mol
LogP2.43
Rot. Bonds2

About 4-fluoro-3-(fluoromethylsulfanyl)aniline

4-fluoro-3-(fluoromethylsulfanyl)aniline (PubChem CID 19834502) has the molecular formula C7H7F2NS and a molecular weight of 175.20 g/mol. Its IUPAC name is 4-fluoro-3-(fluoromethylsulfanyl)aniline.

Molecular Properties

Compound Name4-fluoro-3-(fluoromethylsulfanyl)aniline
PubChem CID19834502
Molecular FormulaC7H7F2NS
Molecular Weight175.20 g/mol
Exact Mass175.03
IUPAC Name4-fluoro-3-(fluoromethylsulfanyl)aniline
SMILESNc1ccc(F)c(SCF)c1
InChIInChI=1S/C7H7F2NS/c8-4-11-7-3-5(10)1-2-6(7)9/h1-3H,4,10H2
InChIKeyGWVCPFPANNZOOL-UHFFFAOYSA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-3-(fluoromethylsulfanyl)aniline?
The IUPAC name of 4-fluoro-3-(fluoromethylsulfanyl)aniline (CID 19834502) is 4-fluoro-3-(fluoromethylsulfanyl)aniline.
What is the SMILES notation for 4-fluoro-3-(fluoromethylsulfanyl)aniline?
The canonical SMILES for 4-fluoro-3-(fluoromethylsulfanyl)aniline is Nc1ccc(F)c(SCF)c1.
What is the InChIKey of 4-fluoro-3-(fluoromethylsulfanyl)aniline?
The InChIKey is GWVCPFPANNZOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NS/c8-4-11-7-3-5(10)1-2-6(7)9/h1-3H,4,10H2.
What are the key properties of 4-fluoro-3-(fluoromethylsulfanyl)aniline?
4-fluoro-3-(fluoromethylsulfanyl)aniline has a molecular weight of 175.20 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(fluoromethylsulfanyl)aniline is sourced from PubChem (CID 19834502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).