2-(3-fluoropropylsulfinyl)-4-methoxyaniline

C10H14FNO2S — CID 81207384

IUPAC2-(3-fluoropropylsulfinyl)-4-methoxyaniline
SMILESCOc1ccc(N)c(S(=O)CCCF)c1
InChIInChI=1S/C10H14FNO2S/c1-14-8-3-4-9(12)10(7-8)15(13)6-2-5-11/h3-4,7H,2,5-6,12H2,1H3
InChIKeyZZIKYGFUKWVJKE-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.74
Rot. Bonds5

About 2-(3-fluoropropylsulfinyl)-4-methoxyaniline

2-(3-fluoropropylsulfinyl)-4-methoxyaniline (PubChem CID 81207384) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfinyl)-4-methoxyaniline.

Molecular Properties

Compound Name2-(3-fluoropropylsulfinyl)-4-methoxyaniline
PubChem CID81207384
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name2-(3-fluoropropylsulfinyl)-4-methoxyaniline
SMILESCOc1ccc(N)c(S(=O)CCCF)c1
InChIInChI=1S/C10H14FNO2S/c1-14-8-3-4-9(12)10(7-8)15(13)6-2-5-11/h3-4,7H,2,5-6,12H2,1H3
InChIKeyZZIKYGFUKWVJKE-UHFFFAOYSA-N
XLogP1.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.74
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

4-ethoxy-2-(3-fluoropropylsulfinyl)aniline
CID 81174804
4-methoxy-2-(3-phenylpropylsulfinyl)aniline
CID 81206569
4-methoxy-2-(2-propan-2-ylsulfonylethylsulfinyl)aniline
CID 106735808
2-(2-amino-5-methoxyphenyl)sulfinylacetonitrile
CID 81207794
2-[2-(3-bromophenoxy)ethylsulfinyl]-4-methoxyaniline
CID 81201014
4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline
CID 81207791
2-[(5-bromo-2-fluorophenyl)methylsulfinyl]-4-methoxyaniline
CID 81207464
4-ethoxy-2-(2-methoxyethylsulfinyl)aniline
CID 81176021
4-ethoxy-2-(3-ethylsulfonylpropylsulfinyl)aniline
CID 81175653
4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline
CID 102941211
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfinyl]aniline
CID 81201044
4-fluoro-2-nonylsulfinylaniline
CID 81182991

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfinyl)-4-methoxyaniline?
The IUPAC name of 2-(3-fluoropropylsulfinyl)-4-methoxyaniline (CID 81207384) is 2-(3-fluoropropylsulfinyl)-4-methoxyaniline.
What is the SMILES notation for 2-(3-fluoropropylsulfinyl)-4-methoxyaniline?
The canonical SMILES for 2-(3-fluoropropylsulfinyl)-4-methoxyaniline is COc1ccc(N)c(S(=O)CCCF)c1.
What is the InChIKey of 2-(3-fluoropropylsulfinyl)-4-methoxyaniline?
The InChIKey is ZZIKYGFUKWVJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-14-8-3-4-9(12)10(7-8)15(13)6-2-5-11/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 2-(3-fluoropropylsulfinyl)-4-methoxyaniline?
2-(3-fluoropropylsulfinyl)-4-methoxyaniline has a molecular weight of 231.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfinyl)-4-methoxyaniline is sourced from PubChem (CID 81207384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).