2,9-bis(trifluoromethyl)-1,10-phenanthroline

C14H6F6N2 — CID 10425866

IUPAC2,9-bis(trifluoromethyl)-1,10-phenanthroline
SMILESFC(F)(F)c1ccc2ccc3ccc(C(F)(F)F)nc3c2n1
InChIInChI=1S/C14H6F6N2/c15-13(16,17)9-5-3-7-1-2-8-4-6-10(14(18,19)20)22-12(8)11(7)21-9/h1-6H
InChIKeyCDSPRBQJBAAEID-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.82
Rot. Bonds

About 2,9-bis(trifluoromethyl)-1,10-phenanthroline

2,9-bis(trifluoromethyl)-1,10-phenanthroline (PubChem CID 10425866) has the molecular formula C14H6F6N2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2,9-bis(trifluoromethyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis(trifluoromethyl)-1,10-phenanthroline
PubChem CID10425866
Molecular FormulaC14H6F6N2
Molecular Weight316.20 g/mol
Exact Mass316.04
IUPAC Name2,9-bis(trifluoromethyl)-1,10-phenanthroline
SMILESFC(F)(F)c1ccc2ccc3ccc(C(F)(F)F)nc3c2n1
InChIInChI=1S/C14H6F6N2/c15-13(16,17)9-5-3-7-1-2-8-4-6-10(14(18,19)20)22-12(8)11(7)21-9/h1-6H
InChIKeyCDSPRBQJBAAEID-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.82
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

1,10-Phenanthroline
CID 1318
2,9-Dimethyl-1,10-phenanthroline
CID 65237
Bathocuproine
CID 65149
1,10-Phenanthroline hydrate
CID 21226
4,7-Dimethyl-1,10-phenanthroline
CID 72792
4-Methyl-1,10-phenanthroline
CID 93149
2-Methyl-8-aminoquinoline
CID 140457
2-Methyl-1,10-phenanthroline
CID 4913356
1,10-Phenanthroline monohydrochloride monohydrate
CID 2723715
1,10-Phenanthroline hydrochloride
CID 73350
2,2'-Biquinoline
CID 8412
1-Methylphenazine
CID 606676

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(trifluoromethyl)-1,10-phenanthroline?
The IUPAC name of 2,9-bis(trifluoromethyl)-1,10-phenanthroline (CID 10425866) is 2,9-bis(trifluoromethyl)-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis(trifluoromethyl)-1,10-phenanthroline?
The canonical SMILES for 2,9-bis(trifluoromethyl)-1,10-phenanthroline is FC(F)(F)c1ccc2ccc3ccc(C(F)(F)F)nc3c2n1.
What is the InChIKey of 2,9-bis(trifluoromethyl)-1,10-phenanthroline?
The InChIKey is CDSPRBQJBAAEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F6N2/c15-13(16,17)9-5-3-7-1-2-8-4-6-10(14(18,19)20)22-12(8)11(7)21-9/h1-6H.
What are the key properties of 2,9-bis(trifluoromethyl)-1,10-phenanthroline?
2,9-bis(trifluoromethyl)-1,10-phenanthroline has a molecular weight of 316.20 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(trifluoromethyl)-1,10-phenanthroline is sourced from PubChem (CID 10425866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).