2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C17H12F6O — CID 89424064

IUPAC2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC=Cc1ccc(-c2cccc(C(O)(C(F)(F)F)C(F)(F)F)c2)cc1
InChIInChI=1S/C17H12F6O/c1-2-11-6-8-12(9-7-11)13-4-3-5-14(10-13)15(24,16(18,19)20)17(21,22)23/h2-10,24H,1H2
InChIKeyKQNVYJJHPVMGCK-UHFFFAOYSA-N
MW346.27 g/mol
LogP5.31
Rot. Bonds3

About 2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 89424064) has the molecular formula C17H12F6O and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID89424064
Molecular FormulaC17H12F6O
Molecular Weight346.27 g/mol
Exact Mass346.08
IUPAC Name2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC=Cc1ccc(-c2cccc(C(O)(C(F)(F)F)C(F)(F)F)c2)cc1
InChIInChI=1S/C17H12F6O/c1-2-11-6-8-12(9-7-11)13-4-3-5-14(10-13)15(24,16(18,19)20)17(21,22)23/h2-10,24H,1H2
InChIKeyKQNVYJJHPVMGCK-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.27
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 89424064) is 2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is C=Cc1ccc(-c2cccc(C(O)(C(F)(F)F)C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is KQNVYJJHPVMGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6O/c1-2-11-6-8-12(9-7-11)13-4-3-5-14(10-13)15(24,16(18,19)20)17(21,22)23/h2-10,24H,1H2.
What are the key properties of 2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 346.27 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 89424064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).