2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile

C15H10F3NO — CID 69356263

IUPAC2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCCc1c(F)cccc1F
InChIInChI=1S/C15H10F3NO/c16-12-3-1-4-13(17)10(12)7-8-20-15-6-2-5-14(18)11(15)9-19/h1-6H,7-8H2
InChIKeyCMBMMDHGQWOZKB-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.60
Rot. Bonds4

About 2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile

2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile (PubChem CID 69356263) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile
PubChem CID69356263
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCCc1c(F)cccc1F
InChIInChI=1S/C15H10F3NO/c16-12-3-1-4-13(17)10(12)7-8-20-15-6-2-5-14(18)11(15)9-19/h1-6H,7-8H2
InChIKeyCMBMMDHGQWOZKB-UHFFFAOYSA-N
XLogP3.60
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[2-(4-methylphenyl)ethoxy]benzonitrile
CID 66924061
2-fluoro-6-(2-naphthalen-1-ylethoxy)benzonitrile
CID 69358024
2-but-3-ynoxy-6-fluorobenzonitrile
CID 63656850
2-fluoro-6-(4-methoxybutoxy)benzonitrile
CID 115777027
2-(3,3-dimethylbutoxy)-6-fluorobenzonitrile
CID 79513134
2-[2-(3,5-dimethoxyphenyl)ethoxy]-6-fluorobenzonitrile
CID 69356379
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
2-fluoro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzonitrile
CID 116628106
2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile
CID 79512645
2-(3,3-diethoxypropoxy)-6-fluorobenzonitrile
CID 63629983
2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile
CID 69357808
2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile
CID 67301728

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile?
The IUPAC name of 2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile (CID 69356263) is 2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile?
The canonical SMILES for 2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile is N#Cc1c(F)cccc1OCCc1c(F)cccc1F.
What is the InChIKey of 2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile?
The InChIKey is CMBMMDHGQWOZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-12-3-1-4-13(17)10(12)7-8-20-15-6-2-5-14(18)11(15)9-19/h1-6H,7-8H2.
What are the key properties of 2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile?
2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile has a molecular weight of 277.25 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile is sourced from PubChem (CID 69356263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).