2-(2,5-difluoro-4-methoxyphenyl)propanenitrile

C10H9F2NO — CID 83699160

IUPAC2-(2,5-difluoro-4-methoxyphenyl)propanenitrile
SMILESCOc1cc(F)c(C(C)C#N)cc1F
InChIInChI=1S/C10H9F2NO/c1-6(5-13)7-3-9(12)10(14-2)4-8(7)11/h3-4,6H,1-2H3
InChIKeyZBWLYKHCNYSTFO-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.60
Rot. Bonds2

About 2-(2,5-difluoro-4-methoxyphenyl)propanenitrile

2-(2,5-difluoro-4-methoxyphenyl)propanenitrile (PubChem CID 83699160) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(2,5-difluoro-4-methoxyphenyl)propanenitrile
PubChem CID83699160
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2-(2,5-difluoro-4-methoxyphenyl)propanenitrile
SMILESCOc1cc(F)c(C(C)C#N)cc1F
InChIInChI=1S/C10H9F2NO/c1-6(5-13)7-3-9(12)10(14-2)4-8(7)11/h3-4,6H,1-2H3
InChIKeyZBWLYKHCNYSTFO-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

2-(2,5-difluoro-4-methoxyphenyl)-3-methylbutanenitrile
CID 116964667
2-(3,5-difluoro-2-methoxyphenyl)propanenitrile
CID 84774139
2-(5-bromo-2-hydroxy-3-methoxyphenyl)propanenitrile
CID 131433064
1-[amino-(2,5-difluoro-4-methoxyphenyl)methyl]cyclobutane-1-carbonitrile
CID 116943739
1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
CID 59409851
3-amino-3-(2,5-difluoro-4-methoxyphenyl)-2-methylpropanoic acid
CID 116938095
2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile
CID 59393260
(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine
CID 55277831
cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine
CID 130024487
2-(5-tert-butyl-2-methoxyphenyl)propanenitrile
CID 82079061
2-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide
CID 116847082
1-(2,5-difluoro-4-methoxyphenyl)-1-hydrazinyl-N,N-dimethylmethanamine
CID 116914948

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-methoxyphenyl)propanenitrile?
The IUPAC name of 2-(2,5-difluoro-4-methoxyphenyl)propanenitrile (CID 83699160) is 2-(2,5-difluoro-4-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-(2,5-difluoro-4-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-(2,5-difluoro-4-methoxyphenyl)propanenitrile is COc1cc(F)c(C(C)C#N)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-methoxyphenyl)propanenitrile?
The InChIKey is ZBWLYKHCNYSTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-6(5-13)7-3-9(12)10(14-2)4-8(7)11/h3-4,6H,1-2H3.
What are the key properties of 2-(2,5-difluoro-4-methoxyphenyl)propanenitrile?
2-(2,5-difluoro-4-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-(2,5-difluoro-4-methoxyphenyl)propanenitrile is sourced from PubChem (CID 83699160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).