4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol

C16H11F7O2 — CID 20504864

IUPAC4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C16H11F7O2/c17-14(18,15(19,20)16(21,22)23)13(9-1-5-11(24)6-2-9)10-3-7-12(25)8-4-10/h1-8,13,24-25H
InChIKeyFGDPEJHQCITKEK-UHFFFAOYSA-N
MW368.25 g/mol
LogP5.06
Rot. Bonds4

About 4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol

4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol (PubChem CID 20504864) has the molecular formula C16H11F7O2 and a molecular weight of 368.25 g/mol. Its IUPAC name is 4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol.

Molecular Properties

Compound Name4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol
PubChem CID20504864
Molecular FormulaC16H11F7O2
Molecular Weight368.25 g/mol
Exact Mass368.06
IUPAC Name4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C16H11F7O2/c17-14(18,15(19,20)16(21,22)23)13(9-1-5-11(24)6-2-9)10-3-7-12(25)8-4-10/h1-8,13,24-25H
InChIKeyFGDPEJHQCITKEK-UHFFFAOYSA-N
XLogP5.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.25
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol?
The IUPAC name of 4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol (CID 20504864) is 4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol.
What is the SMILES notation for 4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol?
The canonical SMILES for 4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol is Oc1ccc(C(c2ccc(O)cc2)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol?
The InChIKey is FGDPEJHQCITKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F7O2/c17-14(18,15(19,20)16(21,22)23)13(9-1-5-11(24)6-2-9)10-3-7-12(25)8-4-10/h1-8,13,24-25H.
What are the key properties of 4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol?
4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol has a molecular weight of 368.25 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol is sourced from PubChem (CID 20504864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).