6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine

C15H8F3NO2 — CID 134841525

IUPAC6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine
SMILESFC(F)(F)c1nc2ccccc2c2cc3c(cc12)OCO3
InChIInChI=1S/C15H8F3NO2/c16-15(17,18)14-10-6-13-12(20-7-21-13)5-9(10)8-3-1-2-4-11(8)19-14/h1-6H,7H2
InChIKeyLHWGFOWPXOIAEO-UHFFFAOYSA-N
MW291.23 g/mol
LogP4.14
Rot. Bonds

About 6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine

6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine (PubChem CID 134841525) has the molecular formula C15H8F3NO2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine.

Molecular Properties

Compound Name6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine
PubChem CID134841525
Molecular FormulaC15H8F3NO2
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine
SMILESFC(F)(F)c1nc2ccccc2c2cc3c(cc12)OCO3
InChIInChI=1S/C15H8F3NO2/c16-15(17,18)14-10-6-13-12(20-7-21-13)5-9(10)8-3-1-2-4-11(8)19-14/h1-6H,7H2
InChIKeyLHWGFOWPXOIAEO-UHFFFAOYSA-N
XLogP4.14
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 54.14
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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Related Compounds

6-chloro-[1,3]dioxolo[4,5-j]phenanthridine
CID 11032549
6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine
CID 139237684
6-(3-methylbutoxy)-[1,3]dioxolo[4,5-j]phenanthridine
CID 139237683
3,4-dimethoxy-2-(trifluoromethyl)quinoline
CID 69305906
6-[difluoro(phenyl)methyl]phenanthridine
CID 141426161
a,3a,5,6a,8,11,14,25,28,31,34,41,44,47,50,61,64,67,70,77,80,83,86,97-tetracosaoxa-16,23,52,59,88,95-hexazatridecacyclo[72.34.0.02,37.04,35.015,24.017,22.038,73.040,71.051,60.053,58.076,107.087,96.089,94]octahecta-1(8a),2,4(35),7a(76),15,17,19,21,23,36,38,40(71),51,53,55,57,59,72,74,87,89,91,93,95-tetracosaene
CID 122216440
2-(1,3-benzodioxol-5-yl)-3-bromo-4-phenylquinoline
CID 2465752
5,7-dioxa-15-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
CID 15507696
2-(1,3-benzodioxol-5-yl)-4-chloroquinoline
CID 58658852
6-phenyl-[1,3]dioxolo[4,5-g]quinoline
CID 11953752
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
2-[2-(1,3-benzodioxol-5-yl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 3096423

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine?
The IUPAC name of 6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine (CID 134841525) is 6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine.
What is the SMILES notation for 6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine?
The canonical SMILES for 6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine is FC(F)(F)c1nc2ccccc2c2cc3c(cc12)OCO3.
What is the InChIKey of 6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine?
The InChIKey is LHWGFOWPXOIAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO2/c16-15(17,18)14-10-6-13-12(20-7-21-13)5-9(10)8-3-1-2-4-11(8)19-14/h1-6H,7H2.
What are the key properties of 6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine?
6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine has a molecular weight of 291.23 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine is sourced from PubChem (CID 134841525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).