4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol

C13H16F3NOS — CID 66852287

IUPAC4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc(SC(F)(F)F)cc2)CC1
InChIInChI=1S/C13H16F3NOS/c14-13(15,16)19-12-7-3-10(4-8-12)17-9-1-5-11(18)6-2-9/h3-4,7-9,11,17-18H,1-2,5-6H2
InChIKeyGESCPYBNDUNDKQ-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.01
Rot. Bonds3

About 4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol

4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol (PubChem CID 66852287) has the molecular formula C13H16F3NOS and a molecular weight of 291.34 g/mol. Its IUPAC name is 4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol
PubChem CID66852287
Molecular FormulaC13H16F3NOS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc(SC(F)(F)F)cc2)CC1
InChIInChI=1S/C13H16F3NOS/c14-13(15,16)19-12-7-3-10(4-8-12)17-9-1-5-11(18)6-2-9/h3-4,7-9,11,17-18H,1-2,5-6H2
InChIKeyGESCPYBNDUNDKQ-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol (CID 66852287) is 4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol is OC1CCC(Nc2ccc(SC(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol?
The InChIKey is GESCPYBNDUNDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NOS/c14-13(15,16)19-12-7-3-10(4-8-12)17-9-1-5-11(18)6-2-9/h3-4,7-9,11,17-18H,1-2,5-6H2.
What are the key properties of 4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol?
4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol has a molecular weight of 291.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethylsulfanyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 66852287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).