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

C14H25F3OS — CID 116627869

IUPAC[4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol
SMILESCCCCC1CCC(CO)(CCSC(F)(F)F)CC1
InChIInChI=1S/C14H25F3OS/c1-2-3-4-12-5-7-13(11-18,8-6-12)9-10-19-14(15,16)17/h12,18H,2-11H2,1H3
InChIKeyKSUBRSGEOYICBN-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.99
Rot. Bonds7

About [4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol

[4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol (PubChem CID 116627869) has the molecular formula C14H25F3OS and a molecular weight of 298.41 g/mol. Its IUPAC name is [4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol
PubChem CID116627869
Molecular FormulaC14H25F3OS
Molecular Weight298.41 g/mol
Exact Mass298.16
IUPAC Name[4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol
SMILESCCCCC1CCC(CO)(CCSC(F)(F)F)CC1
InChIInChI=1S/C14H25F3OS/c1-2-3-4-12-5-7-13(11-18,8-6-12)9-10-19-14(15,16)17/h12,18H,2-11H2,1H3
InChIKeyKSUBRSGEOYICBN-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol?
The IUPAC name of [4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol (CID 116627869) is [4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol.
What is the SMILES notation for [4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol?
The canonical SMILES for [4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol is CCCCC1CCC(CO)(CCSC(F)(F)F)CC1.
What is the InChIKey of [4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol?
The InChIKey is KSUBRSGEOYICBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3OS/c1-2-3-4-12-5-7-13(11-18,8-6-12)9-10-19-14(15,16)17/h12,18H,2-11H2,1H3.
What are the key properties of [4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol?
[4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol has a molecular weight of 298.41 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol is sourced from PubChem (CID 116627869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).