1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol

C11H8F6O — CID 54236329

IUPAC1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol
SMILESOC(F)(C(F)(F)F)C(F)(F)C=Cc1ccccc1
InChIInChI=1S/C11H8F6O/c12-9(13,10(14,18)11(15,16)17)7-6-8-4-2-1-3-5-8/h1-7,18H
InChIKeyQMVILTHKCPMEMG-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.56
Rot. Bonds3

About 1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol

1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol (PubChem CID 54236329) has the molecular formula C11H8F6O and a molecular weight of 270.17 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol
PubChem CID54236329
Molecular FormulaC11H8F6O
Molecular Weight270.17 g/mol
Exact Mass270.05
IUPAC Name1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol
SMILESOC(F)(C(F)(F)F)C(F)(F)C=Cc1ccccc1
InChIInChI=1S/C11H8F6O/c12-9(13,10(14,18)11(15,16)17)7-6-8-4-2-1-3-5-8/h1-7,18H
InChIKeyQMVILTHKCPMEMG-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol (CID 54236329) is 1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol is OC(F)(C(F)(F)F)C(F)(F)C=Cc1ccccc1.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol?
The InChIKey is QMVILTHKCPMEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O/c12-9(13,10(14,18)11(15,16)17)7-6-8-4-2-1-3-5-8/h1-7,18H.
What are the key properties of 1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol?
1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol has a molecular weight of 270.17 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-5-phenylpent-4-en-2-ol is sourced from PubChem (CID 54236329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).