5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline

C10H12FNS — CID 43304435

IUPAC5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline
SMILESC=C(C)CSc1ccc(F)cc1N
InChIInChI=1S/C10H12FNS/c1-7(2)6-13-10-4-3-8(11)5-9(10)12/h3-5H,1,6,12H2,2H3
InChIKeyDXNHOUOALDWVIR-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.08
Rot. Bonds3

About 5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline

5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline (PubChem CID 43304435) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline
PubChem CID43304435
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline
SMILESC=C(C)CSc1ccc(F)cc1N
InChIInChI=1S/C10H12FNS/c1-7(2)6-13-10-4-3-8(11)5-9(10)12/h3-5H,1,6,12H2,2H3
InChIKeyDXNHOUOALDWVIR-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline?
The IUPAC name of 5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline (CID 43304435) is 5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline.
What is the SMILES notation for 5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline?
The canonical SMILES for 5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline is C=C(C)CSc1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline?
The InChIKey is DXNHOUOALDWVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c1-7(2)6-13-10-4-3-8(11)5-9(10)12/h3-5H,1,6,12H2,2H3.
What are the key properties of 5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline?
5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline has a molecular weight of 197.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline is sourced from PubChem (CID 43304435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).