2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C11H10F6O — CID 153213674

IUPAC2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC=CC1=CC=C(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H10F6O/c1-2-7-3-5-8(6-4-7)9(18,10(12,13)14)11(15,16)17/h2-3,5,18H,1,4,6H2
InChIKeyWMHDPJLTAJDZQS-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.67
Rot. Bonds2

About 2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 153213674) has the molecular formula C11H10F6O and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID153213674
Molecular FormulaC11H10F6O
Molecular Weight272.19 g/mol
Exact Mass272.06
IUPAC Name2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC=CC1=CC=C(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H10F6O/c1-2-7-3-5-8(6-4-7)9(18,10(12,13)14)11(15,16)17/h2-3,5,18H,1,4,6H2
InChIKeyWMHDPJLTAJDZQS-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 153213674) is 2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is C=CC1=CC=C(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is WMHDPJLTAJDZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O/c1-2-7-3-5-8(6-4-7)9(18,10(12,13)14)11(15,16)17/h2-3,5,18H,1,4,6H2.
What are the key properties of 2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 272.19 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 153213674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).