2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol

C12H14F6O — CID 89299198

IUPAC2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCC(C1=CC=CC(C(C)C(F)(F)F)C1O)C(F)(F)F
InChIInChI=1S/C12H14F6O/c1-6(11(13,14)15)8-4-3-5-9(10(8)19)7(2)12(16,17)18/h3-8,10,19H,1-2H3
InChIKeyWZTMZUDZUBQGRM-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.86
Rot. Bonds2

About 2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol

2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 89299198) has the molecular formula C12H14F6O and a molecular weight of 288.23 g/mol. Its IUPAC name is 2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol
PubChem CID89299198
Molecular FormulaC12H14F6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC Name2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCC(C1=CC=CC(C(C)C(F)(F)F)C1O)C(F)(F)F
InChIInChI=1S/C12H14F6O/c1-6(11(13,14)15)8-4-3-5-9(10(8)19)7(2)12(16,17)18/h3-8,10,19H,1-2H3
InChIKeyWZTMZUDZUBQGRM-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol (CID 89299198) is 2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol is CC(C1=CC=CC(C(C)C(F)(F)F)C1O)C(F)(F)F.
What is the InChIKey of 2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is WZTMZUDZUBQGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6O/c1-6(11(13,14)15)8-4-3-5-9(10(8)19)7(2)12(16,17)18/h3-8,10,19H,1-2H3.
What are the key properties of 2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol?
2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 288.23 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 89299198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).