3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol

C9H15F3OS — CID 116627294

IUPAC3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol
SMILESCC1(CCSC(F)(F)F)CCC(O)C1
InChIInChI=1S/C9H15F3OS/c1-8(3-2-7(13)6-8)4-5-14-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyHSWWOWOAUABCLO-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.18
Rot. Bonds3

About 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol

3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol (PubChem CID 116627294) has the molecular formula C9H15F3OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol
PubChem CID116627294
Molecular FormulaC9H15F3OS
Molecular Weight228.28 g/mol
Exact Mass228.08
IUPAC Name3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol
SMILESCC1(CCSC(F)(F)F)CCC(O)C1
InChIInChI=1S/C9H15F3OS/c1-8(3-2-7(13)6-8)4-5-14-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyHSWWOWOAUABCLO-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol?
The IUPAC name of 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol (CID 116627294) is 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol is CC1(CCSC(F)(F)F)CCC(O)C1.
What is the InChIKey of 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol?
The InChIKey is HSWWOWOAUABCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3OS/c1-8(3-2-7(13)6-8)4-5-14-9(10,11)12/h7,13H,2-6H2,1H3.
What are the key properties of 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol?
3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol has a molecular weight of 228.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 116627294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).