2-(4-ethoxy-2,6-difluorophenyl)acetonitrile

C10H9F2NO — CID 46737617

IUPAC2-(4-ethoxy-2,6-difluorophenyl)acetonitrile
SMILESCCOc1cc(F)c(CC#N)c(F)c1
InChIInChI=1S/C10H9F2NO/c1-2-14-7-5-9(11)8(3-4-13)10(12)6-7/h5-6H,2-3H2,1H3
InChIKeyHPCVPLVZPJZLOU-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.43
Rot. Bonds3

About 2-(4-ethoxy-2,6-difluorophenyl)acetonitrile

2-(4-ethoxy-2,6-difluorophenyl)acetonitrile (PubChem CID 46737617) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-(4-ethoxy-2,6-difluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-ethoxy-2,6-difluorophenyl)acetonitrile
PubChem CID46737617
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2-(4-ethoxy-2,6-difluorophenyl)acetonitrile
SMILESCCOc1cc(F)c(CC#N)c(F)c1
InChIInChI=1S/C10H9F2NO/c1-2-14-7-5-9(11)8(3-4-13)10(12)6-7/h5-6H,2-3H2,1H3
InChIKeyHPCVPLVZPJZLOU-UHFFFAOYSA-N
XLogP2.43
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluoro-4-methoxyphenyl)acetonitrile
CID 3869500
2-(4-ethoxy-2-fluorophenyl)acetonitrile
CID 84767796
2-chloro-5-ethoxy-1,3-difluorobenzene
CID 118847384
4-ethoxy-2-fluoro-6-hydroxybenzonitrile
CID 131422202
4-(cyanomethyl)-3,5-difluorobenzonitrile
CID 118821709
2-(2,4-difluoro-6-methoxyphenyl)acetonitrile
CID 84768896
4-(4-ethoxy-2-fluorophenyl)but-3-enenitrile
CID 170799973
2-[2-(cyanomethyl)-4,5-diethoxyphenyl]acetonitrile
CID 102359044
5-bromo-2-(bromomethyl)-1,3-difluorobenzene;2-(4-bromo-2,6-difluorophenyl)acetonitrile
CID 160735694
4-[(4-ethoxyanilino)methyl]-3,5-difluorobenzonitrile
CID 107037464
2-(5-ethoxy-1,2-dimethylindol-3-yl)acetonitrile
CID 82494814
5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene
CID 144851540

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,6-difluorophenyl)acetonitrile?
The IUPAC name of 2-(4-ethoxy-2,6-difluorophenyl)acetonitrile (CID 46737617) is 2-(4-ethoxy-2,6-difluorophenyl)acetonitrile.
What is the SMILES notation for 2-(4-ethoxy-2,6-difluorophenyl)acetonitrile?
The canonical SMILES for 2-(4-ethoxy-2,6-difluorophenyl)acetonitrile is CCOc1cc(F)c(CC#N)c(F)c1.
What is the InChIKey of 2-(4-ethoxy-2,6-difluorophenyl)acetonitrile?
The InChIKey is HPCVPLVZPJZLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-2-14-7-5-9(11)8(3-4-13)10(12)6-7/h5-6H,2-3H2,1H3.
What are the key properties of 2-(4-ethoxy-2,6-difluorophenyl)acetonitrile?
2-(4-ethoxy-2,6-difluorophenyl)acetonitrile has a molecular weight of 197.18 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,6-difluorophenyl)acetonitrile is sourced from PubChem (CID 46737617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).