3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile

C10H8F3NO — CID 118848555

IUPAC3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile
SMILESN#CCCc1cc(F)ccc1OC(F)F
InChIInChI=1S/C10H8F3NO/c11-8-3-4-9(15-10(12)13)7(6-8)2-1-5-14/h3-4,6,10H,1-2H2
InChIKeyOJOOXWVWZCSQJB-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.88
Rot. Bonds4

About 3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile

3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile (PubChem CID 118848555) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile
PubChem CID118848555
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile
SMILESN#CCCc1cc(F)ccc1OC(F)F
InChIInChI=1S/C10H8F3NO/c11-8-3-4-9(15-10(12)13)7(6-8)2-1-5-14/h3-4,6,10H,1-2H2
InChIKeyOJOOXWVWZCSQJB-UHFFFAOYSA-N
XLogP2.88
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(difluoromethoxy)-5-fluorophenyl]acetonitrile
CID 118808935
3-(2-bromo-5-fluorophenyl)propanenitrile
CID 53434281
3-(5-fluoro-2-hydroxyphenyl)propanenitrile
CID 130883570
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115
3-[2-(difluoromethoxy)-4-formylphenyl]propanenitrile
CID 118831557
2-(difluoromethoxy)-4-fluorobenzonitrile
CID 59295388
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
3-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanenitrile
CID 115231191
5-[2-(chloromethyl)-4-fluorophenoxy]pentanenitrile
CID 107698739
3-[4-(difluoromethoxy)-2-ethylphenyl]propanenitrile
CID 118818436
N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 107695779
4-(difluoromethoxy)-3-(3-oxopropyl)benzonitrile
CID 118823117

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile?
The IUPAC name of 3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile (CID 118848555) is 3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile.
What is the SMILES notation for 3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile?
The canonical SMILES for 3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile is N#CCCc1cc(F)ccc1OC(F)F.
What is the InChIKey of 3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile?
The InChIKey is OJOOXWVWZCSQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-8-3-4-9(15-10(12)13)7(6-8)2-1-5-14/h3-4,6,10H,1-2H2.
What are the key properties of 3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile?
3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile has a molecular weight of 215.17 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)-5-fluorophenyl]propanenitrile is sourced from PubChem (CID 118848555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).