3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol

C8H6F6O — CID 144720884

IUPAC3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol
SMILESOC1=CC(C(F)(F)F)CC(C(F)(F)F)=C1
InChIInChI=1S/C8H6F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h2-4,15H,1H2
InChIKeyKWFHIFODAZQJBW-UHFFFAOYSA-N
MW232.12 g/mol
LogP3.50
Rot. Bonds

About 3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol

3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol (PubChem CID 144720884) has the molecular formula C8H6F6O and a molecular weight of 232.12 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol
PubChem CID144720884
Molecular FormulaC8H6F6O
Molecular Weight232.12 g/mol
Exact Mass232.03
IUPAC Name3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol
SMILESOC1=CC(C(F)(F)F)CC(C(F)(F)F)=C1
InChIInChI=1S/C8H6F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h2-4,15H,1H2
InChIKeyKWFHIFODAZQJBW-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol (CID 144720884) is 3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol is OC1=CC(C(F)(F)F)CC(C(F)(F)F)=C1.
What is the InChIKey of 3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is KWFHIFODAZQJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h2-4,15H,1H2.
What are the key properties of 3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol has a molecular weight of 232.12 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 144720884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).