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

C9H15F3OS — CID 116627876

IUPAC[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol
SMILESOCC1(CCSC(F)(F)F)CCCC1
InChIInChI=1S/C9H15F3OS/c10-9(11,12)14-6-5-8(7-13)3-1-2-4-8/h13H,1-7H2
InChIKeyDMOPXLFCRUHBFG-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.18
Rot. Bonds4

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

[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol (PubChem CID 116627876) has the molecular formula C9H15F3OS and a molecular weight of 228.28 g/mol. Its IUPAC name is [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol
PubChem CID116627876
Molecular FormulaC9H15F3OS
Molecular Weight228.28 g/mol
Exact Mass228.08
IUPAC Name[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol
SMILESOCC1(CCSC(F)(F)F)CCCC1
InChIInChI=1S/C9H15F3OS/c10-9(11,12)14-6-5-8(7-13)3-1-2-4-8/h13H,1-7H2
InChIKeyDMOPXLFCRUHBFG-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol (CID 116627876) is [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol is OCC1(CCSC(F)(F)F)CCCC1.
What is the InChIKey of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol?
The InChIKey is DMOPXLFCRUHBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3OS/c10-9(11,12)14-6-5-8(7-13)3-1-2-4-8/h13H,1-7H2.
What are the key properties of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol?
[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol has a molecular weight of 228.28 g/mol, XLogP of 3.18, 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]cyclopentyl]methanol is sourced from PubChem (CID 116627876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).