4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol

C14H10F4O2 — CID 11369659

IUPAC4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(C(F)(F)C(F)(F)c2ccc(O)cc2)cc1
InChIInChI=1S/C14H10F4O2/c15-13(16,9-1-5-11(19)6-2-9)14(17,18)10-3-7-12(20)8-4-10/h1-8,19-20H
InChIKeyYFWMKHJNNZCGHF-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.98
Rot. Bonds3

About 4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol

4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol (PubChem CID 11369659) has the molecular formula C14H10F4O2 and a molecular weight of 286.22 g/mol. Its IUPAC name is 4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol
PubChem CID11369659
Molecular FormulaC14H10F4O2
Molecular Weight286.22 g/mol
Exact Mass286.06
IUPAC Name4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(C(F)(F)C(F)(F)c2ccc(O)cc2)cc1
InChIInChI=1S/C14H10F4O2/c15-13(16,9-1-5-11(19)6-2-9)14(17,18)10-3-7-12(20)8-4-10/h1-8,19-20H
InChIKeyYFWMKHJNNZCGHF-UHFFFAOYSA-N
XLogP3.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.98
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-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol (CID 11369659) is 4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol is Oc1ccc(C(F)(F)C(F)(F)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol?
The InChIKey is YFWMKHJNNZCGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O2/c15-13(16,9-1-5-11(19)6-2-9)14(17,18)10-3-7-12(20)8-4-10/h1-8,19-20H.
What are the key properties of 4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol?
4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol has a molecular weight of 286.22 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 11369659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).