[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol

C10H17F3OS — CID 116627875

IUPAC[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol
SMILESOCC1(CCSC(F)(F)F)CCCCC1
InChIInChI=1S/C10H17F3OS/c11-10(12,13)15-7-6-9(8-14)4-2-1-3-5-9/h14H,1-8H2
InChIKeyRTYGMZQTDUGMII-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.57
Rot. Bonds4

About [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol

[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol (PubChem CID 116627875) has the molecular formula C10H17F3OS and a molecular weight of 242.31 g/mol. Its IUPAC name is [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol
PubChem CID116627875
Molecular FormulaC10H17F3OS
Molecular Weight242.31 g/mol
Exact Mass242.10
IUPAC Name[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol
SMILESOCC1(CCSC(F)(F)F)CCCCC1
InChIInChI=1S/C10H17F3OS/c11-10(12,13)15-7-6-9(8-14)4-2-1-3-5-9/h14H,1-8H2
InChIKeyRTYGMZQTDUGMII-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol?
The IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol (CID 116627875) is [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol?
The canonical SMILES for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol is OCC1(CCSC(F)(F)F)CCCCC1.
What is the InChIKey of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol?
The InChIKey is RTYGMZQTDUGMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3OS/c11-10(12,13)15-7-6-9(8-14)4-2-1-3-5-9/h14H,1-8H2.
What are the key properties of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol?
[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol has a molecular weight of 242.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol is sourced from PubChem (CID 116627875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).