8-(2,3,5-trifluorophenyl)cinnoline

C14H7F3N2 — CID 175737885

IUPAC8-(2,3,5-trifluorophenyl)cinnoline
SMILESFc1cc(F)c(F)c(-c2cccc3ccnnc23)c1
InChIInChI=1S/C14H7F3N2/c15-9-6-11(13(17)12(16)7-9)10-3-1-2-8-4-5-18-19-14(8)10/h1-7H
InChIKeyQOPWPAAMAVJQOZ-UHFFFAOYSA-N
MW260.22 g/mol
LogP3.71
Rot. Bonds1

About 8-(2,3,5-trifluorophenyl)cinnoline

8-(2,3,5-trifluorophenyl)cinnoline (PubChem CID 175737885) has the molecular formula C14H7F3N2 and a molecular weight of 260.22 g/mol. Its IUPAC name is 8-(2,3,5-trifluorophenyl)cinnoline.

Molecular Properties

Compound Name8-(2,3,5-trifluorophenyl)cinnoline
PubChem CID175737885
Molecular FormulaC14H7F3N2
Molecular Weight260.22 g/mol
Exact Mass260.06
IUPAC Name8-(2,3,5-trifluorophenyl)cinnoline
SMILESFc1cc(F)c(F)c(-c2cccc3ccnnc23)c1
InChIInChI=1S/C14H7F3N2/c15-9-6-11(13(17)12(16)7-9)10-3-1-2-8-4-5-18-19-14(8)10/h1-7H
InChIKeyQOPWPAAMAVJQOZ-UHFFFAOYSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene
CID 161120611
[2-(2,3,5-trifluorophenyl)phenyl]azanium
CID 22348855
2-cinnolin-8-ylethanamine
CID 68501199
4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol
CID 163389121
8-(2,3,4,5-tetrafluorophenyl)quinoline-3-carboxamide
CID 176887404
2,6-bis(2,3-difluorophenyl)-4-fluoropyridine
CID 133088897
1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene
CID 119023512
1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol
CID 156882057
5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 118437879
4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine
CID 123222423
ethyl 4-bromo-8-(2,3,5-trifluorophenyl)quinoline-3-carboxylate
CID 156881977
2-chloro-4-(2,3-difluorophenyl)-3-fluoropyridine
CID 119022782

Frequently Asked Questions

What is the IUPAC name of 8-(2,3,5-trifluorophenyl)cinnoline?
The IUPAC name of 8-(2,3,5-trifluorophenyl)cinnoline (CID 175737885) is 8-(2,3,5-trifluorophenyl)cinnoline.
What is the SMILES notation for 8-(2,3,5-trifluorophenyl)cinnoline?
The canonical SMILES for 8-(2,3,5-trifluorophenyl)cinnoline is Fc1cc(F)c(F)c(-c2cccc3ccnnc23)c1.
What is the InChIKey of 8-(2,3,5-trifluorophenyl)cinnoline?
The InChIKey is QOPWPAAMAVJQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2/c15-9-6-11(13(17)12(16)7-9)10-3-1-2-8-4-5-18-19-14(8)10/h1-7H.
What are the key properties of 8-(2,3,5-trifluorophenyl)cinnoline?
8-(2,3,5-trifluorophenyl)cinnoline has a molecular weight of 260.22 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3,5-trifluorophenyl)cinnoline is sourced from PubChem (CID 175737885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).