2-(3,5-difluoro-2-methoxyphenyl)propanenitrile

C10H9F2NO — CID 84774139

IUPAC2-(3,5-difluoro-2-methoxyphenyl)propanenitrile
SMILESCOc1c(F)cc(F)cc1C(C)C#N
InChIInChI=1S/C10H9F2NO/c1-6(5-13)8-3-7(11)4-9(12)10(8)14-2/h3-4,6H,1-2H3
InChIKeyHGWWGAVMJLLRHB-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.60
Rot. Bonds2

About 2-(3,5-difluoro-2-methoxyphenyl)propanenitrile

2-(3,5-difluoro-2-methoxyphenyl)propanenitrile (PubChem CID 84774139) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(3,5-difluoro-2-methoxyphenyl)propanenitrile
PubChem CID84774139
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2-(3,5-difluoro-2-methoxyphenyl)propanenitrile
SMILESCOc1c(F)cc(F)cc1C(C)C#N
InChIInChI=1S/C10H9F2NO/c1-6(5-13)8-3-7(11)4-9(12)10(8)14-2/h3-4,6H,1-2H3
InChIKeyHGWWGAVMJLLRHB-UHFFFAOYSA-N
XLogP2.60
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 84661308
2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
2-(2,5-difluoro-4-methoxyphenyl)propanenitrile
CID 83699160
2-(3-chloro-5-fluoro-4-methoxyphenyl)propanenitrile
CID 130135021
3-(3,5-difluoro-2-methoxyphenyl)butanal
CID 117305267
(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 66514208
[4-fluoro-2,6-di(propan-2-yl)phenyl] cyanate
CID 137403019
3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol
CID 171862381
2-(2,4-difluoro-6-hydroxyphenyl)propanenitrile
CID 84768886
1-(3,5-difluoro-2-methoxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171874440
1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine
CID 84680949
1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol
CID 84681646

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-methoxyphenyl)propanenitrile?
The IUPAC name of 2-(3,5-difluoro-2-methoxyphenyl)propanenitrile (CID 84774139) is 2-(3,5-difluoro-2-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-(3,5-difluoro-2-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-(3,5-difluoro-2-methoxyphenyl)propanenitrile is COc1c(F)cc(F)cc1C(C)C#N.
What is the InChIKey of 2-(3,5-difluoro-2-methoxyphenyl)propanenitrile?
The InChIKey is HGWWGAVMJLLRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-6(5-13)8-3-7(11)4-9(12)10(8)14-2/h3-4,6H,1-2H3.
What are the key properties of 2-(3,5-difluoro-2-methoxyphenyl)propanenitrile?
2-(3,5-difluoro-2-methoxyphenyl)propanenitrile has a molecular weight of 197.18 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-methoxyphenyl)propanenitrile is sourced from PubChem (CID 84774139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).