4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline

C14H20FNOS — CID 81191814

IUPAC4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline
SMILESCCC1CCCC(S(=O)c2ccc(N)cc2F)C1
InChIInChI=1S/C14H20FNOS/c1-2-10-4-3-5-12(8-10)18(17)14-7-6-11(16)9-13(14)15/h6-7,9-10,12H,2-5,8,16H2,1H3
InChIKeyCUZVKKZIFZFKEH-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.48
Rot. Bonds3

About 4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline

4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline (PubChem CID 81191814) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline.

Molecular Properties

Compound Name4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline
PubChem CID81191814
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline
SMILESCCC1CCCC(S(=O)c2ccc(N)cc2F)C1
InChIInChI=1S/C14H20FNOS/c1-2-10-4-3-5-12(8-10)18(17)14-7-6-11(16)9-13(14)15/h6-7,9-10,12H,2-5,8,16H2,1H3
InChIKeyCUZVKKZIFZFKEH-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 4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline?
The IUPAC name of 4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline (CID 81191814) is 4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline.
What is the SMILES notation for 4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline?
The canonical SMILES for 4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline is CCC1CCCC(S(=O)c2ccc(N)cc2F)C1.
What is the InChIKey of 4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline?
The InChIKey is CUZVKKZIFZFKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-2-10-4-3-5-12(8-10)18(17)14-7-6-11(16)9-13(14)15/h6-7,9-10,12H,2-5,8,16H2,1H3.
What are the key properties of 4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline?
4-(3-ethylcyclohexyl)sulfinyl-3-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 4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline is sourced from PubChem (CID 81191814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).