8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine

C17H13F4NO2 — CID 71037215

IUPAC8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine
SMILESCC(C)Oc1nc2cc(OC(F)(F)F)ccc2c2ccc(F)cc12
InChIInChI=1S/C17H13F4NO2/c1-9(2)23-16-14-7-10(18)3-5-12(14)13-6-4-11(8-15(13)22-16)24-17(19,20)21/h3-9H,1-2H3
InChIKeyJVCUTXVMAOIJMO-UHFFFAOYSA-N
MW339.29 g/mol
LogP5.21
Rot. Bonds3

About 8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine

8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine (PubChem CID 71037215) has the molecular formula C17H13F4NO2 and a molecular weight of 339.29 g/mol. Its IUPAC name is 8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine.

Molecular Properties

Compound Name8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine
PubChem CID71037215
Molecular FormulaC17H13F4NO2
Molecular Weight339.29 g/mol
Exact Mass339.09
IUPAC Name8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine
SMILESCC(C)Oc1nc2cc(OC(F)(F)F)ccc2c2ccc(F)cc12
InChIInChI=1S/C17H13F4NO2/c1-9(2)23-16-14-7-10(18)3-5-12(14)13-6-4-11(8-15(13)22-16)24-17(19,20)21/h3-9H,1-2H3
InChIKeyJVCUTXVMAOIJMO-UHFFFAOYSA-N
XLogP5.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.29
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine?
The IUPAC name of 8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine (CID 71037215) is 8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine.
What is the SMILES notation for 8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine?
The canonical SMILES for 8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine is CC(C)Oc1nc2cc(OC(F)(F)F)ccc2c2ccc(F)cc12.
What is the InChIKey of 8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine?
The InChIKey is JVCUTXVMAOIJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO2/c1-9(2)23-16-14-7-10(18)3-5-12(14)13-6-4-11(8-15(13)22-16)24-17(19,20)21/h3-9H,1-2H3.
What are the key properties of 8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine?
8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine has a molecular weight of 339.29 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine is sourced from PubChem (CID 71037215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).