2-(3-fluoropropylsulfinyl)-6-methylaniline

C10H14FNOS — CID 81187767

IUPAC2-(3-fluoropropylsulfinyl)-6-methylaniline
SMILESCc1cccc(S(=O)CCCF)c1N
InChIInChI=1S/C10H14FNOS/c1-8-4-2-5-9(10(8)12)14(13)7-3-6-11/h2,4-5H,3,6-7,12H2,1H3
InChIKeyKYEOMCMROHOMLQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.04
Rot. Bonds4

About 2-(3-fluoropropylsulfinyl)-6-methylaniline

2-(3-fluoropropylsulfinyl)-6-methylaniline (PubChem CID 81187767) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfinyl)-6-methylaniline.

Molecular Properties

Compound Name2-(3-fluoropropylsulfinyl)-6-methylaniline
PubChem CID81187767
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name2-(3-fluoropropylsulfinyl)-6-methylaniline
SMILESCc1cccc(S(=O)CCCF)c1N
InChIInChI=1S/C10H14FNOS/c1-8-4-2-5-9(10(8)12)14(13)7-3-6-11/h2,4-5H,3,6-7,12H2,1H3
InChIKeyKYEOMCMROHOMLQ-UHFFFAOYSA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-fluoropropylsulfinyl)-6-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfinyl)-6-methylaniline?
The IUPAC name of 2-(3-fluoropropylsulfinyl)-6-methylaniline (CID 81187767) is 2-(3-fluoropropylsulfinyl)-6-methylaniline.
What is the SMILES notation for 2-(3-fluoropropylsulfinyl)-6-methylaniline?
The canonical SMILES for 2-(3-fluoropropylsulfinyl)-6-methylaniline is Cc1cccc(S(=O)CCCF)c1N.
What is the InChIKey of 2-(3-fluoropropylsulfinyl)-6-methylaniline?
The InChIKey is KYEOMCMROHOMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-8-4-2-5-9(10(8)12)14(13)7-3-6-11/h2,4-5H,3,6-7,12H2,1H3.
What are the key properties of 2-(3-fluoropropylsulfinyl)-6-methylaniline?
2-(3-fluoropropylsulfinyl)-6-methylaniline has a molecular weight of 215.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfinyl)-6-methylaniline is sourced from PubChem (CID 81187767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).