5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine

C17H10F3NO — CID 134851260

IUPAC5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine
SMILESFC(F)(F)Cc1nc2c3ccoc3ccc2c2ccccc12
InChIInChI=1S/C17H10F3NO/c18-17(19,20)9-14-11-4-2-1-3-10(11)12-5-6-15-13(7-8-22-15)16(12)21-14/h1-8H,9H2
InChIKeyQSXRYVNPTALMKG-UHFFFAOYSA-N
MW301.27 g/mol
LogP5.24
Rot. Bonds1

About 5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine

5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine (PubChem CID 134851260) has the molecular formula C17H10F3NO and a molecular weight of 301.27 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine
PubChem CID134851260
Molecular FormulaC17H10F3NO
Molecular Weight301.27 g/mol
Exact Mass301.07
IUPAC Name5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine
SMILESFC(F)(F)Cc1nc2c3ccoc3ccc2c2ccccc12
InChIInChI=1S/C17H10F3NO/c18-17(19,20)9-14-11-4-2-1-3-10(11)12-5-6-15-13(7-8-22-15)16(12)21-14/h1-8H,9H2
InChIKeyQSXRYVNPTALMKG-UHFFFAOYSA-N
XLogP5.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.27
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine?
The IUPAC name of 5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine (CID 134851260) is 5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine is FC(F)(F)Cc1nc2c3ccoc3ccc2c2ccccc12.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine?
The InChIKey is QSXRYVNPTALMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO/c18-17(19,20)9-14-11-4-2-1-3-10(11)12-5-6-15-13(7-8-22-15)16(12)21-14/h1-8H,9H2.
What are the key properties of 5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine?
5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine has a molecular weight of 301.27 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)furo[2,3-c]phenanthridine is sourced from PubChem (CID 134851260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).