2-(3,4-difluorophenoxy)propanenitrile

C9H7F2NO — CID 60666917

IUPAC2-(3,4-difluorophenoxy)propanenitrile
SMILESCC(C#N)Oc1ccc(F)c(F)c1
InChIInChI=1S/C9H7F2NO/c1-6(5-12)13-7-2-3-8(10)9(11)4-7/h2-4,6H,1H3
InChIKeyYHIYGGJIEGDMQL-UHFFFAOYSA-N
MW183.16 g/mol
LogP2.26
Rot. Bonds2

About 2-(3,4-difluorophenoxy)propanenitrile

2-(3,4-difluorophenoxy)propanenitrile (PubChem CID 60666917) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)propanenitrile.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)propanenitrile
PubChem CID60666917
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(3,4-difluorophenoxy)propanenitrile
SMILESCC(C#N)Oc1ccc(F)c(F)c1
InChIInChI=1S/C9H7F2NO/c1-6(5-12)13-7-2-3-8(10)9(11)4-7/h2-4,6H,1H3
InChIKeyYHIYGGJIEGDMQL-UHFFFAOYSA-N
XLogP2.26
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenoxy)propanenitrile
CID 83233217
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile
CID 107719599
2-[4-[[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]propanenitrile
CID 111753663
2-[4-(4-methylphenyl)phenoxy]propanenitrile
CID 22688508
2-(4-bromo-3-methoxyphenoxy)propanenitrile
CID 22688549
2-(3-amino-4-methoxyphenoxy)propanenitrile
CID 103201436
2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride
CID 86262702
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370
3-(1-cyanoethoxy)-5-fluorobenzonitrile
CID 130568484
2-(3,4-difluorophenoxy)pentan-3-one
CID 64869123
4-(3,4-difluorophenoxy)pentan-2-one
CID 64698357

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)propanenitrile?
The IUPAC name of 2-(3,4-difluorophenoxy)propanenitrile (CID 60666917) is 2-(3,4-difluorophenoxy)propanenitrile.
What is the SMILES notation for 2-(3,4-difluorophenoxy)propanenitrile?
The canonical SMILES for 2-(3,4-difluorophenoxy)propanenitrile is CC(C#N)Oc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenoxy)propanenitrile?
The InChIKey is YHIYGGJIEGDMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c1-6(5-12)13-7-2-3-8(10)9(11)4-7/h2-4,6H,1H3.
What are the key properties of 2-(3,4-difluorophenoxy)propanenitrile?
2-(3,4-difluorophenoxy)propanenitrile has a molecular weight of 183.16 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)propanenitrile is sourced from PubChem (CID 60666917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).