6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol

C13H17F3O2 — CID 90387829

IUPAC6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol
SMILESOC1=CC=C(C2CCCCC2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C13H17F3O2/c14-13(15,16)12(18)8-10(17)6-7-11(12)9-4-2-1-3-5-9/h6-7,9,17-18H,1-5,8H2
InChIKeyBSMNOMHKMVJSMY-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.63
Rot. Bonds1

About 6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol

6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol (PubChem CID 90387829) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol
PubChem CID90387829
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol
SMILESOC1=CC=C(C2CCCCC2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C13H17F3O2/c14-13(15,16)12(18)8-10(17)6-7-11(12)9-4-2-1-3-5-9/h6-7,9,17-18H,1-5,8H2
InChIKeyBSMNOMHKMVJSMY-UHFFFAOYSA-N
XLogP3.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol (CID 90387829) is 6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol is OC1=CC=C(C2CCCCC2)C(O)(C(F)(F)F)C1.
What is the InChIKey of 6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol?
The InChIKey is BSMNOMHKMVJSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c14-13(15,16)12(18)8-10(17)6-7-11(12)9-4-2-1-3-5-9/h6-7,9,17-18H,1-5,8H2.
What are the key properties of 6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol?
6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol has a molecular weight of 262.27 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 90387829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).