6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline

C17H12F4N2O2 — CID 177201378

IUPAC6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline
SMILESCOc1ccc(COc2cnnc3c(C(F)(F)F)cc(F)cc23)cc1
InChIInChI=1S/C17H12F4N2O2/c1-24-12-4-2-10(3-5-12)9-25-15-8-22-23-16-13(15)6-11(18)7-14(16)17(19,20)21/h2-8H,9H2,1H3
InChIKeyOKSAIDNHTQSVEZ-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.38
Rot. Bonds4

About 6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline

6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline (PubChem CID 177201378) has the molecular formula C17H12F4N2O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is 6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline.

Molecular Properties

Compound Name6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline
PubChem CID177201378
Molecular FormulaC17H12F4N2O2
Molecular Weight352.29 g/mol
Exact Mass352.08
IUPAC Name6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline
SMILESCOc1ccc(COc2cnnc3c(C(F)(F)F)cc(F)cc23)cc1
InChIInChI=1S/C17H12F4N2O2/c1-24-12-4-2-10(3-5-12)9-25-15-8-22-23-16-13(15)6-11(18)7-14(16)17(19,20)21/h2-8H,9H2,1H3
InChIKeyOKSAIDNHTQSVEZ-UHFFFAOYSA-N
XLogP4.38
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline?
The IUPAC name of 6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline (CID 177201378) is 6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline.
What is the SMILES notation for 6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline?
The canonical SMILES for 6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline is COc1ccc(COc2cnnc3c(C(F)(F)F)cc(F)cc23)cc1.
What is the InChIKey of 6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline?
The InChIKey is OKSAIDNHTQSVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2/c1-24-12-4-2-10(3-5-12)9-25-15-8-22-23-16-13(15)6-11(18)7-14(16)17(19,20)21/h2-8H,9H2,1H3.
What are the key properties of 6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline?
6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline has a molecular weight of 352.29 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline is sourced from PubChem (CID 177201378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).