4-chloro-8-(trifluoromethyl)cinnoline

C9H4ClF3N2 — CID 68581409

IUPAC4-chloro-8-(trifluoromethyl)cinnoline
SMILESFC(F)(F)c1cccc2c(Cl)cnnc12
InChIInChI=1S/C9H4ClF3N2/c10-7-4-14-15-8-5(7)2-1-3-6(8)9(11,12)13/h1-4H
InChIKeyHYWVFTBPZVKWAR-UHFFFAOYSA-N
MW232.59 g/mol
LogP3.30
Rot. Bonds

About 4-chloro-8-(trifluoromethyl)cinnoline

4-chloro-8-(trifluoromethyl)cinnoline (PubChem CID 68581409) has the molecular formula C9H4ClF3N2 and a molecular weight of 232.59 g/mol. Its IUPAC name is 4-chloro-8-(trifluoromethyl)cinnoline.

Molecular Properties

Compound Name4-chloro-8-(trifluoromethyl)cinnoline
PubChem CID68581409
Molecular FormulaC9H4ClF3N2
Molecular Weight232.59 g/mol
Exact Mass232.00
IUPAC Name4-chloro-8-(trifluoromethyl)cinnoline
SMILESFC(F)(F)c1cccc2c(Cl)cnnc12
InChIInChI=1S/C9H4ClF3N2/c10-7-4-14-15-8-5(7)2-1-3-6(8)9(11,12)13/h1-4H
InChIKeyHYWVFTBPZVKWAR-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.59
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane
CID 122693971
3-chloro-2,8-bis(trifluoromethyl)quinoline
CID 22730365
1-chloro-5-(trifluoromethyl)naphthalene
CID 20538520
3-chloro-7-(trifluoromethyl)-2H-indazole
CID 105476798
2-chloro-8-(trifluoromethyl)quinazolin-4-amine
CID 34181622
4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline
CID 1481917
4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine
CID 58945607
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
4-methyl-8-(trifluoromethyl)quinolin-3-amine
CID 105483666
4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline
CID 11853301
4-chloro-8-(trifluoromethyl)chromenylium
CID 142446407

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-(trifluoromethyl)cinnoline?
The IUPAC name of 4-chloro-8-(trifluoromethyl)cinnoline (CID 68581409) is 4-chloro-8-(trifluoromethyl)cinnoline.
What is the SMILES notation for 4-chloro-8-(trifluoromethyl)cinnoline?
The canonical SMILES for 4-chloro-8-(trifluoromethyl)cinnoline is FC(F)(F)c1cccc2c(Cl)cnnc12.
What is the InChIKey of 4-chloro-8-(trifluoromethyl)cinnoline?
The InChIKey is HYWVFTBPZVKWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2/c10-7-4-14-15-8-5(7)2-1-3-6(8)9(11,12)13/h1-4H.
What are the key properties of 4-chloro-8-(trifluoromethyl)cinnoline?
4-chloro-8-(trifluoromethyl)cinnoline has a molecular weight of 232.59 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-(trifluoromethyl)cinnoline is sourced from PubChem (CID 68581409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).