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

C10H15F3OS — CID 107383568

IUPAC3-[2-(trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol
SMILESOC1C=C(CCSC(F)(F)F)CCCC1
InChIInChI=1S/C10H15F3OS/c11-10(12,13)15-6-5-8-3-1-2-4-9(14)7-8/h7,9,14H,1-6H2
InChIKeyQVNLASQYYLDLNL-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.49
Rot. Bonds3

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

3-[2-(trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol (PubChem CID 107383568) has the molecular formula C10H15F3OS and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol
PubChem CID107383568
Molecular FormulaC10H15F3OS
Molecular Weight240.29 g/mol
Exact Mass240.08
IUPAC Name3-[2-(trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol
SMILESOC1C=C(CCSC(F)(F)F)CCCC1
InChIInChI=1S/C10H15F3OS/c11-10(12,13)15-6-5-8-3-1-2-4-9(14)7-8/h7,9,14H,1-6H2
InChIKeyQVNLASQYYLDLNL-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.49
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

3-(Trifluoromethyl)cyclohept-2-en-1-ol
CID 166885238
(1R)-3-(trifluoromethyl)cyclohept-2-en-1-ol
CID 167008459
1-(Cyclohepten-1-yl)-3,3,3-trifluoropropan-1-ol
CID 62078750
1-(Cyclohepten-1-yl)-2,2,2-trifluoroethanol
CID 62080411
1-(Cyclohepten-1-yl)-2,2-difluoroethanol
CID 104632732
3-[2-(Trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol
CID 116627291
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-(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]cyclohept-2-en-1-ol?
The IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol (CID 107383568) is 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol.
What is the SMILES notation for 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol?
The canonical SMILES for 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol is OC1C=C(CCSC(F)(F)F)CCCC1.
What is the InChIKey of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol?
The InChIKey is QVNLASQYYLDLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3OS/c11-10(12,13)15-6-5-8-3-1-2-4-9(14)7-8/h7,9,14H,1-6H2.
What are the key properties of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol?
3-[2-(trifluoromethylsulfanyl)ethyl]cyclohept-2-en-1-ol has a molecular weight of 240.29 g/mol, XLogP of 3.49, 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]cyclohept-2-en-1-ol is sourced from PubChem (CID 107383568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).