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

C9H13F3OS — CID 116627291

IUPAC3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol
SMILESOC1C=C(CCSC(F)(F)F)CCC1
InChIInChI=1S/C9H13F3OS/c10-9(11,12)14-5-4-7-2-1-3-8(13)6-7/h6,8,13H,1-5H2
InChIKeyUIIOBULKPKWWMV-UHFFFAOYSA-N
MW226.26 g/mol
LogP3.10
Rot. Bonds3

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

3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol (PubChem CID 116627291) has the molecular formula C9H13F3OS and a molecular weight of 226.26 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol
PubChem CID116627291
Molecular FormulaC9H13F3OS
Molecular Weight226.26 g/mol
Exact Mass226.06
IUPAC Name3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol
SMILESOC1C=C(CCSC(F)(F)F)CCC1
InChIInChI=1S/C9H13F3OS/c10-9(11,12)14-5-4-7-2-1-3-8(13)6-7/h6,8,13H,1-5H2
InChIKeyUIIOBULKPKWWMV-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 53.10
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

1-(Cyclohexen-1-yl)-2,2,2-trifluoroethanol
CID 62078057
1-(Cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol
CID 62079269
1-(Cyclohexen-1-yl)-4,4,4-trifluorobutan-1-ol
CID 65713196
3-[2-(Trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol
CID 107383568
5,5-Dimethyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol
CID 116627292
3-[2-(Trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol
CID 116627293
1-(Cyclohexen-1-yl)-2,2-difluoroethanol
CID 121598835
Cyclohexen-1-yl(methylsulfanyl)methanol
CID 54330648
1-(Cycloocten-1-yl)-3-methylsulfanylpropan-1-ol
CID 106651095
1-(Cyclohexen-1-yl)-3-methylsulfanylpropan-1-ol
CID 106651096
1-(Cyclohepten-1-yl)-3-methylsulfanylpropan-1-ol
CID 106651097
1-(Cycloocten-1-yl)-3-ethylsulfanylpropan-1-ol
CID 106651631

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol?
The IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol (CID 116627291) is 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol?
The canonical SMILES for 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol is OC1C=C(CCSC(F)(F)F)CCC1.
What is the InChIKey of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol?
The InChIKey is UIIOBULKPKWWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3OS/c10-9(11,12)14-5-4-7-2-1-3-8(13)6-7/h6,8,13H,1-5H2.
What are the key properties of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol?
3-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol has a molecular weight of 226.26 g/mol, XLogP of 3.10, 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]cyclohex-2-en-1-ol is sourced from PubChem (CID 116627291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).