3-(trifluoromethoxy)cyclohex-3-en-1-ol

C7H9F3O2 — CID 123715071

IUPAC3-(trifluoromethoxy)cyclohex-3-en-1-ol
SMILESOC1CCC=C(OC(F)(F)F)C1
InChIInChI=1S/C7H9F3O2/c8-7(9,10)12-6-3-1-2-5(11)4-6/h3,5,11H,1-2,4H2
InChIKeyYEDTVUMLLSMSRH-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.95
Rot. Bonds1

About 3-(trifluoromethoxy)cyclohex-3-en-1-ol

3-(trifluoromethoxy)cyclohex-3-en-1-ol (PubChem CID 123715071) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 3-(trifluoromethoxy)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name3-(trifluoromethoxy)cyclohex-3-en-1-ol
PubChem CID123715071
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name3-(trifluoromethoxy)cyclohex-3-en-1-ol
SMILESOC1CCC=C(OC(F)(F)F)C1
InChIInChI=1S/C7H9F3O2/c8-7(9,10)12-6-3-1-2-5(11)4-6/h3,5,11H,1-2,4H2
InChIKeyYEDTVUMLLSMSRH-UHFFFAOYSA-N
XLogP1.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)cyclohex-3-en-1-ol?
The IUPAC name of 3-(trifluoromethoxy)cyclohex-3-en-1-ol (CID 123715071) is 3-(trifluoromethoxy)cyclohex-3-en-1-ol.
What is the SMILES notation for 3-(trifluoromethoxy)cyclohex-3-en-1-ol?
The canonical SMILES for 3-(trifluoromethoxy)cyclohex-3-en-1-ol is OC1CCC=C(OC(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethoxy)cyclohex-3-en-1-ol?
The InChIKey is YEDTVUMLLSMSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c8-7(9,10)12-6-3-1-2-5(11)4-6/h3,5,11H,1-2,4H2.
What are the key properties of 3-(trifluoromethoxy)cyclohex-3-en-1-ol?
3-(trifluoromethoxy)cyclohex-3-en-1-ol has a molecular weight of 182.14 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)cyclohex-3-en-1-ol is sourced from PubChem (CID 123715071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).