3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol

C8H11F3OS — CID 116627293

IUPAC3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol
SMILESOC1C=C(CCSC(F)(F)F)CC1
InChIInChI=1S/C8H11F3OS/c9-8(10,11)13-4-3-6-1-2-7(12)5-6/h5,7,12H,1-4H2
InChIKeyGLHKWIOOIPZQNT-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.71
Rot. Bonds3

About 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol

3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol (PubChem CID 116627293) has the molecular formula C8H11F3OS and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol
PubChem CID116627293
Molecular FormulaC8H11F3OS
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Name3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol
SMILESOC1C=C(CCSC(F)(F)F)CC1
InChIInChI=1S/C8H11F3OS/c9-8(10,11)13-4-3-6-1-2-7(12)5-6/h5,7,12H,1-4H2
InChIKeyGLHKWIOOIPZQNT-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethene;4-methyl-2-[(3S,5E)-7,7,7-trifluoro-6-methylhepta-1,5-dien-3-yl]-2,3-dihydrothiophen-3-ol
CID 143813996
3-[2-(Trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol
CID 107383568
3-[2-(Trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol
CID 116627291
1-(Thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol
CID 130565162
4-methyl-2-[(3S,5E)-7,7,7-trifluoro-6-methylhepta-1,5-dien-3-yl]-2,3-dihydrothiophen-3-ol
CID 143813997
3-(2-Methylsulfanylethyl)cyclopent-2-en-1-ol
CID 116105088
3-(3-Methylsulfanylpropyl)cyclopent-2-en-1-ol
CID 116105089
3-(3-Ethylsulfanylpropyl)cyclopent-2-en-1-ol
CID 116105090
3-(2-Ethylsulfanylethyl)cyclopent-2-en-1-ol
CID 116105091

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol?
The IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol (CID 116627293) is 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol?
The canonical SMILES for 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol is OC1C=C(CCSC(F)(F)F)CC1.
What is the InChIKey of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol?
The InChIKey is GLHKWIOOIPZQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3OS/c9-8(10,11)13-4-3-6-1-2-7(12)5-6/h5,7,12H,1-4H2.
What are the key properties of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol?
3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol has a molecular weight of 212.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 116627293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).