4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile

C12H14F2N2O — CID 55144879

IUPAC4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCOc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2N2O/c1-2-16-9(8-15)5-6-17-10-3-4-11(13)12(14)7-10/h3-4,7,9,16H,2,5-6H2,1H3
InChIKeyQORMNLKSYILFCW-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.24
Rot. Bonds6

About 4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile

4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile (PubChem CID 55144879) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile
PubChem CID55144879
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCOc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2N2O/c1-2-16-9(8-15)5-6-17-10-3-4-11(13)12(14)7-10/h3-4,7,9,16H,2,5-6H2,1H3
InChIKeyQORMNLKSYILFCW-UHFFFAOYSA-N
XLogP2.24
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile
CID 63028658
4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile
CID 55168643
2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile
CID 63027246
4-(4-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 107667821
4-(3,4-difluorophenoxy)-2-(2-methylphenyl)butanenitrile
CID 82137344
4-(4-fluorophenoxy)-2-(methylamino)butanenitrile
CID 63028632
N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine
CID 62599636
4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile
CID 55144295
2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
CID 43115122
4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 55143340
ethyl 4-(3,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63035662
4-(3-propan-2-ylphenoxy)-2-(propylamino)butanenitrile
CID 63027244

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile?
The IUPAC name of 4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile (CID 55144879) is 4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile?
The canonical SMILES for 4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile is CCNC(C#N)CCOc1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile?
The InChIKey is QORMNLKSYILFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-2-16-9(8-15)5-6-17-10-3-4-11(13)12(14)7-10/h3-4,7,9,16H,2,5-6H2,1H3.
What are the key properties of 4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile?
4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile has a molecular weight of 240.25 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile is sourced from PubChem (CID 55144879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).