2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline

C14H20FNOS — CID 81192432

IUPAC2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline
SMILESCCC1CCCCC1S(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H20FNOS/c1-2-10-5-3-4-6-13(10)18(17)14-8-7-11(15)9-12(14)16/h7-10,13H,2-6,16H2,1H3
InChIKeyHVVXQGOYRGXZOP-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.48
Rot. Bonds3

About 2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline

2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline (PubChem CID 81192432) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline
PubChem CID81192432
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline
SMILESCCC1CCCCC1S(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H20FNOS/c1-2-10-5-3-4-6-13(10)18(17)14-8-7-11(15)9-12(14)16/h7-10,13H,2-6,16H2,1H3
InChIKeyHVVXQGOYRGXZOP-UHFFFAOYSA-N
XLogP3.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline?
The IUPAC name of 2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline (CID 81192432) is 2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline.
What is the SMILES notation for 2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline?
The canonical SMILES for 2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline is CCC1CCCCC1S(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline?
The InChIKey is HVVXQGOYRGXZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-2-10-5-3-4-6-13(10)18(17)14-8-7-11(15)9-12(14)16/h7-10,13H,2-6,16H2,1H3.
What are the key properties of 2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline?
2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline has a molecular weight of 269.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)sulfinyl-5-fluoroaniline is sourced from PubChem (CID 81192432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).