4-ethoxy-2-(3-fluoropropylsulfinyl)aniline

C11H16FNO2S — CID 81174804

IUPAC4-ethoxy-2-(3-fluoropropylsulfinyl)aniline
SMILESCCOc1ccc(N)c(S(=O)CCCF)c1
InChIInChI=1S/C11H16FNO2S/c1-2-15-9-4-5-10(13)11(8-9)16(14)7-3-6-12/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyJMOBNKFOBVTUJG-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.13
Rot. Bonds6

About 4-ethoxy-2-(3-fluoropropylsulfinyl)aniline

4-ethoxy-2-(3-fluoropropylsulfinyl)aniline (PubChem CID 81174804) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-ethoxy-2-(3-fluoropropylsulfinyl)aniline.

Molecular Properties

Compound Name4-ethoxy-2-(3-fluoropropylsulfinyl)aniline
PubChem CID81174804
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name4-ethoxy-2-(3-fluoropropylsulfinyl)aniline
SMILESCCOc1ccc(N)c(S(=O)CCCF)c1
InChIInChI=1S/C11H16FNO2S/c1-2-15-9-4-5-10(13)11(8-9)16(14)7-3-6-12/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyJMOBNKFOBVTUJG-UHFFFAOYSA-N
XLogP2.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoropropylsulfinyl)-4-methoxyaniline
CID 81207384
4-ethoxy-2-(3-ethylsulfonylpropylsulfinyl)aniline
CID 81175653
4-ethoxy-2-(2-methoxyethylsulfinyl)aniline
CID 81176021
4-ethoxy-2-(2-methylpropylsulfinyl)aniline
CID 81175032
4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline
CID 106459972
2-[(5-bromothiophen-2-yl)methylsulfinyl]-4-ethoxyaniline
CID 81175780
2-[(3-bromothiophen-2-yl)methylsulfinyl]-4-ethoxyaniline
CID 81176414
4-ethoxy-2-[(5-methyloxolan-2-yl)methylsulfinyl]aniline
CID 103143105
4-methoxy-2-(3-phenylpropylsulfinyl)aniline
CID 81206569
4-ethoxy-2-(2-fluoroethylsulfonyl)aniline
CID 81176417
4-methyl-2-octylsulfinylaniline
CID 81184058
2-[2-(3-bromophenoxy)ethylsulfinyl]-4-methoxyaniline
CID 81201014

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(3-fluoropropylsulfinyl)aniline?
The IUPAC name of 4-ethoxy-2-(3-fluoropropylsulfinyl)aniline (CID 81174804) is 4-ethoxy-2-(3-fluoropropylsulfinyl)aniline.
What is the SMILES notation for 4-ethoxy-2-(3-fluoropropylsulfinyl)aniline?
The canonical SMILES for 4-ethoxy-2-(3-fluoropropylsulfinyl)aniline is CCOc1ccc(N)c(S(=O)CCCF)c1.
What is the InChIKey of 4-ethoxy-2-(3-fluoropropylsulfinyl)aniline?
The InChIKey is JMOBNKFOBVTUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-2-15-9-4-5-10(13)11(8-9)16(14)7-3-6-12/h4-5,8H,2-3,6-7,13H2,1H3.
What are the key properties of 4-ethoxy-2-(3-fluoropropylsulfinyl)aniline?
4-ethoxy-2-(3-fluoropropylsulfinyl)aniline has a molecular weight of 245.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(3-fluoropropylsulfinyl)aniline is sourced from PubChem (CID 81174804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).