1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline

C15H13F3N2 — CID 68629558

IUPAC1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline
SMILESFC(F)(F)N1CCc2ccccc2N1c1ccccc1
InChIInChI=1S/C15H13F3N2/c16-15(17,18)19-11-10-12-6-4-5-9-14(12)20(19)13-7-2-1-3-8-13/h1-9H,10-11H2
InChIKeyNRLUADDDZVIPAF-UHFFFAOYSA-N
MW278.28 g/mol
LogP4.12
Rot. Bonds1

About 1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline

1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline (PubChem CID 68629558) has the molecular formula C15H13F3N2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline.

Molecular Properties

Compound Name1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline
PubChem CID68629558
Molecular FormulaC15H13F3N2
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline
SMILESFC(F)(F)N1CCc2ccccc2N1c1ccccc1
InChIInChI=1S/C15H13F3N2/c16-15(17,18)19-11-10-12-6-4-5-9-14(12)20(19)13-7-2-1-3-8-13/h1-9H,10-11H2
InChIKeyNRLUADDDZVIPAF-UHFFFAOYSA-N
XLogP4.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline?
The IUPAC name of 1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline (CID 68629558) is 1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline.
What is the SMILES notation for 1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline?
The canonical SMILES for 1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline is FC(F)(F)N1CCc2ccccc2N1c1ccccc1.
What is the InChIKey of 1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline?
The InChIKey is NRLUADDDZVIPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2/c16-15(17,18)19-11-10-12-6-4-5-9-14(12)20(19)13-7-2-1-3-8-13/h1-9H,10-11H2.
What are the key properties of 1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline?
1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline has a molecular weight of 278.28 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline is sourced from PubChem (CID 68629558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).