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

C8H13F3OS — CID 116627873

IUPAC[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol
SMILESOCC1(CCSC(F)(F)F)CCC1
InChIInChI=1S/C8H13F3OS/c9-8(10,11)13-5-4-7(6-12)2-1-3-7/h12H,1-6H2
InChIKeyZCYZDKCDQFNJPW-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.79
Rot. Bonds4

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

[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol (PubChem CID 116627873) has the molecular formula C8H13F3OS and a molecular weight of 214.25 g/mol. Its IUPAC name is [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol
PubChem CID116627873
Molecular FormulaC8H13F3OS
Molecular Weight214.25 g/mol
Exact Mass214.06
IUPAC Name[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol
SMILESOCC1(CCSC(F)(F)F)CCC1
InChIInChI=1S/C8H13F3OS/c9-8(10,11)13-5-4-7(6-12)2-1-3-7/h12H,1-6H2
InChIKeyZCYZDKCDQFNJPW-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.79
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]cyclobutyl]methanol?
The IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol (CID 116627873) is [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol?
The canonical SMILES for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol is OCC1(CCSC(F)(F)F)CCC1.
What is the InChIKey of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol?
The InChIKey is ZCYZDKCDQFNJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3OS/c9-8(10,11)13-5-4-7(6-12)2-1-3-7/h12H,1-6H2.
What are the key properties of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol?
[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol has a molecular weight of 214.25 g/mol, XLogP of 2.79, 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]cyclobutyl]methanol is sourced from PubChem (CID 116627873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).