1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene

C13H15F3S — CID 59882106

IUPAC1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C13H15F3S/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeySJNRTCRUOUPMLC-UHFFFAOYSA-N
MW260.32 g/mol
LogP5.13
Rot. Bonds2

About 1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene

1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene (PubChem CID 59882106) has the molecular formula C13H15F3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene
PubChem CID59882106
Molecular FormulaC13H15F3S
Molecular Weight260.32 g/mol
Exact Mass260.08
IUPAC Name1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C13H15F3S/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeySJNRTCRUOUPMLC-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.32
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene (CID 59882106) is 1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(SC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene?
The InChIKey is SJNRTCRUOUPMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3S/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2.
What are the key properties of 1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene?
1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene has a molecular weight of 260.32 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 59882106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).