4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline

C23H13F7N2O — CID 11853301

IUPAC4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline
SMILESFc1ccc(C(F)(F)F)c(COc2cccc(-c3cnnc4c(C(F)(F)F)cccc34)c2)c1
InChIInChI=1S/C23H13F7N2O/c24-15-7-8-19(22(25,26)27)14(9-15)12-33-16-4-1-3-13(10-16)18-11-31-32-21-17(18)5-2-6-20(21)23(28,29)30/h1-11H,12H2
InChIKeyJXHNOPOHPJYVFP-UHFFFAOYSA-N
MW466.36 g/mol
LogP7.05
Rot. Bonds4

About 4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline

4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline (PubChem CID 11853301) has the molecular formula C23H13F7N2O and a molecular weight of 466.36 g/mol. Its IUPAC name is 4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline.

Molecular Properties

Compound Name4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline
PubChem CID11853301
Molecular FormulaC23H13F7N2O
Molecular Weight466.36 g/mol
Exact Mass466.09
IUPAC Name4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline
SMILESFc1ccc(C(F)(F)F)c(COc2cccc(-c3cnnc4c(C(F)(F)F)cccc34)c2)c1
InChIInChI=1S/C23H13F7N2O/c24-15-7-8-19(22(25,26)27)14(9-15)12-33-16-4-1-3-13(10-16)18-11-31-32-21-17(18)5-2-6-20(21)23(28,29)30/h1-11H,12H2
InChIKeyJXHNOPOHPJYVFP-UHFFFAOYSA-N
XLogP7.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.36
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline
CID 66914046
4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 66914261
2-[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]acetic acid
CID 66913937
8-chloro-4-[3-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-3-phenylcinnoline
CID 45273240
[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl] acetate
CID 91451089
4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 66914057
2-[4-[3-[(2-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
CID 87202481
3-[3-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanoic acid
CID 66914187
4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline
CID 66914378
4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 134628195
4-[3-[[4-(chloromethyl)phenyl]methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 141119965
4-chloro-8-(trifluoromethyl)cinnoline
CID 68581409

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline?
The IUPAC name of 4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline (CID 11853301) is 4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline.
What is the SMILES notation for 4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline?
The canonical SMILES for 4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline is Fc1ccc(C(F)(F)F)c(COc2cccc(-c3cnnc4c(C(F)(F)F)cccc34)c2)c1.
What is the InChIKey of 4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline?
The InChIKey is JXHNOPOHPJYVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F7N2O/c24-15-7-8-19(22(25,26)27)14(9-15)12-33-16-4-1-3-13(10-16)18-11-31-32-21-17(18)5-2-6-20(21)23(28,29)30/h1-11H,12H2.
What are the key properties of 4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline?
4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline has a molecular weight of 466.36 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline is sourced from PubChem (CID 11853301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).