4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile

C12H14F2N2O — CID 107934163

IUPAC4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile
SMILESCCOC(C)CNc1ccc(C#N)c(F)c1F
InChIInChI=1S/C12H14F2N2O/c1-3-17-8(2)7-16-10-5-4-9(6-15)11(13)12(10)14/h4-5,8,16H,3,7H2,1-2H3
InChIKeySMAPRAMEYAIXEC-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.67
Rot. Bonds5

About 4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile

4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile (PubChem CID 107934163) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile.

Molecular Properties

Compound Name4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile
PubChem CID107934163
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile
SMILESCCOC(C)CNc1ccc(C#N)c(F)c1F
InChIInChI=1S/C12H14F2N2O/c1-3-17-8(2)7-16-10-5-4-9(6-15)11(13)12(10)14/h4-5,8,16H,3,7H2,1-2H3
InChIKeySMAPRAMEYAIXEC-UHFFFAOYSA-N
XLogP2.67
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-ethylpentan-2-ylamino)-2,3-difluorobenzonitrile
CID 107933841
ethyl 2-(4-cyano-2,3-difluoroanilino)acetate
CID 107933408
2,3-difluoro-4-(prop-2-ynylamino)benzonitrile
CID 107933287
4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile
CID 107934150
N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide
CID 107933660
2,3-difluoro-4-(1-methylsulfinylpropan-2-ylamino)benzonitrile
CID 114017763
3-(2-ethoxypropylamino)-5-fluorobenzonitrile
CID 102817349
2-bromo-N-(2-ethoxypropyl)-4-nitroaniline
CID 115658151
2,3-difluoro-4-[(1-methylcyclopentyl)methylamino]benzonitrile
CID 107933836
2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide
CID 114175359
2,3-difluoro-4-(1-methylsulfonylpropan-2-ylamino)benzonitrile
CID 107933888
2,3-difluoro-4-propan-2-ylbenzonitrile;propane
CID 156647917

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile?
The IUPAC name of 4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile (CID 107934163) is 4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile.
What is the SMILES notation for 4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile?
The canonical SMILES for 4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile is CCOC(C)CNc1ccc(C#N)c(F)c1F.
What is the InChIKey of 4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile?
The InChIKey is SMAPRAMEYAIXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-3-17-8(2)7-16-10-5-4-9(6-15)11(13)12(10)14/h4-5,8,16H,3,7H2,1-2H3.
What are the key properties of 4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile?
4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile has a molecular weight of 240.25 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile is sourced from PubChem (CID 107934163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).