8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine

C16H12F3NO — CID 132507791

IUPAC8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine
SMILESCOc1ccc2c(c1)c(CC(F)(F)F)nc1ccccc12
InChIInChI=1S/C16H12F3NO/c1-21-10-6-7-11-12-4-2-3-5-14(12)20-15(13(11)8-10)9-16(17,18)19/h2-8H,9H2,1H3
InChIKeyQWRKTWMOADQHAX-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.50
Rot. Bonds2

About 8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine

8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine (PubChem CID 132507791) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine.

Molecular Properties

Compound Name8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine
PubChem CID132507791
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine
SMILESCOc1ccc2c(c1)c(CC(F)(F)F)nc1ccccc12
InChIInChI=1S/C16H12F3NO/c1-21-10-6-7-11-12-4-2-3-5-14(12)20-15(13(11)8-10)9-16(17,18)19/h2-8H,9H2,1H3
InChIKeyQWRKTWMOADQHAX-UHFFFAOYSA-N
XLogP4.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.50
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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Related Compounds

Moxaverine
CID 70882
4-Amino-6-methoxy-2-(trifluoromethyl)-3-quinolinecarbonitrile
CID 824060
4-Methoxy-2-Phenylquinoline
CID 826247
7-Methoxytacrine
CID 119053
9-Amino-2-methoxyacridine
CID 18867
Acridine, 9-(p-anisidino)-
CID 43640
2-Chloro-6-methoxy-4-methylquinoline
CID 224788
8-Methoxy-2-Methylquinoline
CID 316986
9-Methoxyacridine
CID 99383
2-(4-Methoxyphenyl)quinoline
CID 1481967
6-Methoxyquinaldine
CID 70648
6-Methoxyquinoline-2-carbonitrile
CID 230481

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine?
The IUPAC name of 8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine (CID 132507791) is 8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine.
What is the SMILES notation for 8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine?
The canonical SMILES for 8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine is COc1ccc2c(c1)c(CC(F)(F)F)nc1ccccc12.
What is the InChIKey of 8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine?
The InChIKey is QWRKTWMOADQHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c1-21-10-6-7-11-12-4-2-3-5-14(12)20-15(13(11)8-10)9-16(17,18)19/h2-8H,9H2,1H3.
What are the key properties of 8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine?
8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine has a molecular weight of 291.27 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-(2,2,2-trifluoroethyl)phenanthridine is sourced from PubChem (CID 132507791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).