2-(trifluoromethyl)-1,10-phenanthroline

C13H7F3N2 — CID 72771063

IUPAC2-(trifluoromethyl)-1,10-phenanthroline
SMILESFC(F)(F)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C13H7F3N2/c14-13(15,16)10-6-5-9-4-3-8-2-1-7-17-11(8)12(9)18-10/h1-7H
InChIKeyVPIUEXLZUOXCMH-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.80
Rot. Bonds

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

2-(trifluoromethyl)-1,10-phenanthroline (PubChem CID 72771063) has the molecular formula C13H7F3N2 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,10-phenanthroline
PubChem CID72771063
Molecular FormulaC13H7F3N2
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-(trifluoromethyl)-1,10-phenanthroline
SMILESFC(F)(F)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C13H7F3N2/c14-13(15,16)10-6-5-9-4-3-8-2-1-7-17-11(8)12(9)18-10/h1-7H
InChIKeyVPIUEXLZUOXCMH-UHFFFAOYSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.80
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
4,7-Diphenyl-1,10-phenanthroline
CID 72812
5-Methylquinoxaline
CID 61670
2,9-Dimethyl-1,10-phenanthroline
CID 65237
3-Aminoquinoline
CID 11375
1,10-Phenanthroline hydrate
CID 21226
5-Nitro-1,10-phenanthroline
CID 72790
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792
3,4,7,8-Tetramethyl-1,10-phenanthroline
CID 74265
5-Chloro-1,10-phenanthroline
CID 77865
4-Methyl-1,10-phenanthroline
CID 93149

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,10-phenanthroline?
The IUPAC name of 2-(trifluoromethyl)-1,10-phenanthroline (CID 72771063) is 2-(trifluoromethyl)-1,10-phenanthroline.
What is the SMILES notation for 2-(trifluoromethyl)-1,10-phenanthroline?
The canonical SMILES for 2-(trifluoromethyl)-1,10-phenanthroline is FC(F)(F)c1ccc2ccc3cccnc3c2n1.
What is the InChIKey of 2-(trifluoromethyl)-1,10-phenanthroline?
The InChIKey is VPIUEXLZUOXCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2/c14-13(15,16)10-6-5-9-4-3-8-2-1-7-17-11(8)12(9)18-10/h1-7H.
What are the key properties of 2-(trifluoromethyl)-1,10-phenanthroline?
2-(trifluoromethyl)-1,10-phenanthroline has a molecular weight of 248.21 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,10-phenanthroline is sourced from PubChem (CID 72771063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).