2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile

C11H11F2NO — CID 84781478

IUPAC2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile
SMILESCC(C#N)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C11H11F2NO/c1-8(6-14)9-2-4-10(5-3-9)15-7-11(12)13/h2-5,8,11H,7H2,1H3
InChIKeyMSRMFBOBFDFLLH-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.96
Rot. Bonds4

About 2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile

2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile (PubChem CID 84781478) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile
PubChem CID84781478
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile
SMILESCC(C#N)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C11H11F2NO/c1-8(6-14)9-2-4-10(5-3-9)15-7-11(12)13/h2-5,8,11H,7H2,1H3
InChIKeyMSRMFBOBFDFLLH-UHFFFAOYSA-N
XLogP2.96
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,2-difluoropropoxy)phenyl]propanenitrile
CID 84789992
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749
1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene
CID 156627016
2-[4-(2,2-difluoroethoxy)phenyl]-3-methylbutanoic acid
CID 57255635
[4-(1-cyanoethyl)phenyl] methanesulfonate
CID 23034574
3-(4-methoxyphenoxy)-2-methylpropanenitrile
CID 43367443
(2S)-2-(4-iodophenyl)propanenitrile
CID 135394754
N-[(2S)-1-cyanopropan-2-yl]-4-(2,2-difluoroethoxy)-N-methylbenzenesulfonamide
CID 97350959
N-[(2R)-1-cyanopropan-2-yl]-4-(2,2-difluoroethoxy)-N-methylbenzenesulfonamide
CID 97350960
1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene
CID 60921505
4-(2,2-difluoroethoxy)pyridine-2-carbonitrile
CID 71758116
2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid
CID 84794175

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile?
The IUPAC name of 2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile (CID 84781478) is 2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile.
What is the SMILES notation for 2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile?
The canonical SMILES for 2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile is CC(C#N)c1ccc(OCC(F)F)cc1.
What is the InChIKey of 2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile?
The InChIKey is MSRMFBOBFDFLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-8(6-14)9-2-4-10(5-3-9)15-7-11(12)13/h2-5,8,11H,7H2,1H3.
What are the key properties of 2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile?
2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile has a molecular weight of 211.21 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile is sourced from PubChem (CID 84781478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).