4-cyclohexylsulfanyl-3-fluoroaniline

C12H16FNS — CID 43303790

IUPAC4-cyclohexylsulfanyl-3-fluoroaniline
SMILESNc1ccc(SC2CCCCC2)c(F)c1
InChIInChI=1S/C12H16FNS/c13-11-8-9(14)6-7-12(11)15-10-4-2-1-3-5-10/h6-8,10H,1-5,14H2
InChIKeyOMBIBXPXMPBRQB-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.83
Rot. Bonds2

About 4-cyclohexylsulfanyl-3-fluoroaniline

4-cyclohexylsulfanyl-3-fluoroaniline (PubChem CID 43303790) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-cyclohexylsulfanyl-3-fluoroaniline.

Molecular Properties

Compound Name4-cyclohexylsulfanyl-3-fluoroaniline
PubChem CID43303790
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name4-cyclohexylsulfanyl-3-fluoroaniline
SMILESNc1ccc(SC2CCCCC2)c(F)c1
InChIInChI=1S/C12H16FNS/c13-11-8-9(14)6-7-12(11)15-10-4-2-1-3-5-10/h6-8,10H,1-5,14H2
InChIKeyOMBIBXPXMPBRQB-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.83
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-cyclohexylsulfanyl-3-fluoroaniline?
The IUPAC name of 4-cyclohexylsulfanyl-3-fluoroaniline (CID 43303790) is 4-cyclohexylsulfanyl-3-fluoroaniline.
What is the SMILES notation for 4-cyclohexylsulfanyl-3-fluoroaniline?
The canonical SMILES for 4-cyclohexylsulfanyl-3-fluoroaniline is Nc1ccc(SC2CCCCC2)c(F)c1.
What is the InChIKey of 4-cyclohexylsulfanyl-3-fluoroaniline?
The InChIKey is OMBIBXPXMPBRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c13-11-8-9(14)6-7-12(11)15-10-4-2-1-3-5-10/h6-8,10H,1-5,14H2.
What are the key properties of 4-cyclohexylsulfanyl-3-fluoroaniline?
4-cyclohexylsulfanyl-3-fluoroaniline has a molecular weight of 225.33 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanyl-3-fluoroaniline is sourced from PubChem (CID 43303790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).