2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile

C16H13FN2O — CID 61026238

IUPAC2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile
SMILESN#Cc1c(F)cccc1Oc1cccc2c1NCCC2
InChIInChI=1S/C16H13FN2O/c17-13-6-2-7-14(12(13)10-18)20-15-8-1-4-11-5-3-9-19-16(11)15/h1-2,4,6-8,19H,3,5,9H2
InChIKeyHTTYGSSAXNRWOW-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.85
Rot. Bonds2

About 2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile

2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile (PubChem CID 61026238) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile
PubChem CID61026238
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile
SMILESN#Cc1c(F)cccc1Oc1cccc2c1NCCC2
InChIInChI=1S/C16H13FN2O/c17-13-6-2-7-14(12(13)10-18)20-15-8-1-4-11-5-3-9-19-16(11)15/h1-2,4,6-8,19H,3,5,9H2
InChIKeyHTTYGSSAXNRWOW-UHFFFAOYSA-N
XLogP3.85
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile?
The IUPAC name of 2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile (CID 61026238) is 2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile?
The canonical SMILES for 2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile is N#Cc1c(F)cccc1Oc1cccc2c1NCCC2.
What is the InChIKey of 2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile?
The InChIKey is HTTYGSSAXNRWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-13-6-2-7-14(12(13)10-18)20-15-8-1-4-11-5-3-9-19-16(11)15/h1-2,4,6-8,19H,3,5,9H2.
What are the key properties of 2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile?
2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile has a molecular weight of 268.29 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile is sourced from PubChem (CID 61026238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).