5-fluoro-2-(2-phenylethylsulfinyl)aniline

C14H14FNOS — CID 81185390

IUPAC5-fluoro-2-(2-phenylethylsulfinyl)aniline
SMILESNc1cc(F)ccc1S(=O)CCc1ccccc1
InChIInChI=1S/C14H14FNOS/c15-12-6-7-14(13(16)10-12)18(17)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,16H2
InChIKeyKQUYIKZVNYTJJL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.76
Rot. Bonds4

About 5-fluoro-2-(2-phenylethylsulfinyl)aniline

5-fluoro-2-(2-phenylethylsulfinyl)aniline (PubChem CID 81185390) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-fluoro-2-(2-phenylethylsulfinyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(2-phenylethylsulfinyl)aniline
PubChem CID81185390
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name5-fluoro-2-(2-phenylethylsulfinyl)aniline
SMILESNc1cc(F)ccc1S(=O)CCc1ccccc1
InChIInChI=1S/C14H14FNOS/c15-12-6-7-14(13(16)10-12)18(17)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,16H2
InChIKeyKQUYIKZVNYTJJL-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylethylsulfinyl)aniline
CID 61367281
4-[2-(2,4-difluorophenyl)sulfinylethyl]aniline
CID 61288023
5-fluoro-2-(2-phenylsulfanylethylsulfinyl)aniline
CID 81191446
2-[(4-ethylphenyl)methylsulfinyl]-5-fluoroaniline
CID 81186273
5-fluoro-2-(3-pyrrolidin-1-ylpropylsulfinyl)aniline
CID 81192189
5-fluoro-2-(2-morpholin-4-ylethylsulfinyl)aniline
CID 81191706
4-[2-(4-fluorophenyl)sulfinylethyl]aniline
CID 61304596
2-amino-4-fluorobenzenesulfinate
CID 174459431
3-(2-phenylethylsulfinyl)aniline
CID 81180374
5-fluoro-2-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81184508
5-fluoro-2-[(5-fluoro-2-methylphenyl)methylsulfinyl]aniline
CID 105376341
2-methyl-4-(2-phenylethylsulfinyl)aniline
CID 81182411

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-phenylethylsulfinyl)aniline?
The IUPAC name of 5-fluoro-2-(2-phenylethylsulfinyl)aniline (CID 81185390) is 5-fluoro-2-(2-phenylethylsulfinyl)aniline.
What is the SMILES notation for 5-fluoro-2-(2-phenylethylsulfinyl)aniline?
The canonical SMILES for 5-fluoro-2-(2-phenylethylsulfinyl)aniline is Nc1cc(F)ccc1S(=O)CCc1ccccc1.
What is the InChIKey of 5-fluoro-2-(2-phenylethylsulfinyl)aniline?
The InChIKey is KQUYIKZVNYTJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c15-12-6-7-14(13(16)10-12)18(17)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,16H2.
What are the key properties of 5-fluoro-2-(2-phenylethylsulfinyl)aniline?
5-fluoro-2-(2-phenylethylsulfinyl)aniline has a molecular weight of 263.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-phenylethylsulfinyl)aniline is sourced from PubChem (CID 81185390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).