5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol

C15H17F3O2 — CID 65176983

IUPAC5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol
SMILESCC1(C)CC(c2cccc(OC(F)(F)F)c2)=CC(O)C1
InChIInChI=1S/C15H17F3O2/c1-14(2)8-11(6-12(19)9-14)10-4-3-5-13(7-10)20-15(16,17)18/h3-7,12,19H,8-9H2,1-2H3
InChIKeyJCFCYPJSUCVPNH-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.15
Rot. Bonds2

About 5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol

5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol (PubChem CID 65176983) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol
PubChem CID65176983
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol
SMILESCC1(C)CC(c2cccc(OC(F)(F)F)c2)=CC(O)C1
InChIInChI=1S/C15H17F3O2/c1-14(2)8-11(6-12(19)9-14)10-4-3-5-13(7-10)20-15(16,17)18/h3-7,12,19H,8-9H2,1-2H3
InChIKeyJCFCYPJSUCVPNH-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol?
The IUPAC name of 5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol (CID 65176983) is 5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol?
The canonical SMILES for 5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol is CC1(C)CC(c2cccc(OC(F)(F)F)c2)=CC(O)C1.
What is the InChIKey of 5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol?
The InChIKey is JCFCYPJSUCVPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c1-14(2)8-11(6-12(19)9-14)10-4-3-5-13(7-10)20-15(16,17)18/h3-7,12,19H,8-9H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol?
5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol has a molecular weight of 286.29 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 65176983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).