4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol

C18H15F7O — CID 156765464

IUPAC4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol
SMILESCC(O)(CC(F)(F)C(F)(F)C(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15F7O/c1-15(26,11-16(19,20)17(21,22)18(23,24)25)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,26H,11H2,1H3
InChIKeyLUQVOZANUVQDGV-UHFFFAOYSA-N
MW380.30 g/mol
LogP5.78
Rot. Bonds5

About 4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol

4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol (PubChem CID 156765464) has the molecular formula C18H15F7O and a molecular weight of 380.30 g/mol. Its IUPAC name is 4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol.

Molecular Properties

Compound Name4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol
PubChem CID156765464
Molecular FormulaC18H15F7O
Molecular Weight380.30 g/mol
Exact Mass380.10
IUPAC Name4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol
SMILESCC(O)(CC(F)(F)C(F)(F)C(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15F7O/c1-15(26,11-16(19,20)17(21,22)18(23,24)25)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,26H,11H2,1H3
InChIKeyLUQVOZANUVQDGV-UHFFFAOYSA-N
XLogP5.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.30
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol?
The IUPAC name of 4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol (CID 156765464) is 4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol.
What is the SMILES notation for 4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol?
The canonical SMILES for 4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol is CC(O)(CC(F)(F)C(F)(F)C(F)(F)F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol?
The InChIKey is LUQVOZANUVQDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F7O/c1-15(26,11-16(19,20)17(21,22)18(23,24)25)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,26H,11H2,1H3.
What are the key properties of 4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol?
4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol has a molecular weight of 380.30 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol is sourced from PubChem (CID 156765464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).