2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol

C15H11F4NO2 — CID 786348

IUPAC2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C15H11F4NO2/c16-14(17)15(18,19)22-12-7-5-11(6-8-12)20-9-10-3-1-2-4-13(10)21/h1-9,14,21H/b20-9+
InChIKeySIQPSCBYYXYOIC-AWQFTUOYSA-N
MW313.25 g/mol
LogP4.38
Rot. Bonds5

About 2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol

2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol (PubChem CID 786348) has the molecular formula C15H11F4NO2 and a molecular weight of 313.25 g/mol. Its IUPAC name is 2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol
PubChem CID786348
Molecular FormulaC15H11F4NO2
Molecular Weight313.25 g/mol
Exact Mass313.07
IUPAC Name2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C15H11F4NO2/c16-14(17)15(18,19)22-12-7-5-11(6-8-12)20-9-10-3-1-2-4-13(10)21/h1-9,14,21H/b20-9+
InChIKeySIQPSCBYYXYOIC-AWQFTUOYSA-N
XLogP4.38
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol (CID 786348) is 2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of 2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol?
The InChIKey is SIQPSCBYYXYOIC-AWQFTUOYSA-N. The full InChI is InChI=1S/C15H11F4NO2/c16-14(17)15(18,19)22-12-7-5-11(6-8-12)20-9-10-3-1-2-4-13(10)21/h1-9,14,21H/b20-9+.
What are the key properties of 2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol?
2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol has a molecular weight of 313.25 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]phenol is sourced from PubChem (CID 786348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).