3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol

C14H9F3O2 — CID 58776079

IUPAC3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol
SMILESOc1cccc(-c2ccc(OC(F)=C(F)F)cc2)c1
InChIInChI=1S/C14H9F3O2/c15-13(16)14(17)19-12-6-4-9(5-7-12)10-2-1-3-11(18)8-10/h1-8,18H
InChIKeyWRFYBWGEDYZHSB-UHFFFAOYSA-N
MW266.22 g/mol
LogP4.47
Rot. Bonds3

About 3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol

3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol (PubChem CID 58776079) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol.

Molecular Properties

Compound Name3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol
PubChem CID58776079
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol
SMILESOc1cccc(-c2ccc(OC(F)=C(F)F)cc2)c1
InChIInChI=1S/C14H9F3O2/c15-13(16)14(17)19-12-6-4-9(5-7-12)10-2-1-3-11(18)8-10/h1-8,18H
InChIKeyWRFYBWGEDYZHSB-UHFFFAOYSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol?
The IUPAC name of 3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol (CID 58776079) is 3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol.
What is the SMILES notation for 3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol?
The canonical SMILES for 3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol is Oc1cccc(-c2ccc(OC(F)=C(F)F)cc2)c1.
What is the InChIKey of 3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol?
The InChIKey is WRFYBWGEDYZHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c15-13(16)14(17)19-12-6-4-9(5-7-12)10-2-1-3-11(18)8-10/h1-8,18H.
What are the key properties of 3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol?
3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol has a molecular weight of 266.22 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,2,2-trifluoroethenoxy)phenyl]phenol is sourced from PubChem (CID 58776079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).