4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile

C15H10F2N2O2 — CID 107933278

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc3c(c2)OCCO3)c(F)c1F
InChIInChI=1S/C15H10F2N2O2/c16-14-9(8-18)1-3-11(15(14)17)19-10-2-4-12-13(7-10)21-6-5-20-12/h1-4,7,19H,5-6H2
InChIKeyBOWJMLLBPKESKS-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.35
Rot. Bonds2

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile

4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile (PubChem CID 107933278) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile
PubChem CID107933278
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc3c(c2)OCCO3)c(F)c1F
InChIInChI=1S/C15H10F2N2O2/c16-14-9(8-18)1-3-11(15(14)17)19-10-2-4-12-13(7-10)21-6-5-20-12/h1-4,7,19H,5-6H2
InChIKeyBOWJMLLBPKESKS-UHFFFAOYSA-N
XLogP3.35
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)benzonitrile
CID 104716240
4-(1,3-benzodioxol-5-ylamino)-2-fluorobenzonitrile
CID 115367105
4-(4-bromoanilino)-2,3-difluorobenzonitrile
CID 107933239
4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile
CID 107933151
4-(3-bromo-4-chloroanilino)-2,3-difluorobenzonitrile
CID 107933980
2,3-difluoro-4-(4-propan-2-ylanilino)benzonitrile
CID 107933203
2,3-difluoro-4-(3-propan-2-ylanilino)benzonitrile
CID 107933319
N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 82536030
4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile
CID 107933329
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluorobenzene-1,2-diamine
CID 60782998
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorobenzonitrile
CID 162515176
4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile
CID 107933320

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile (CID 107933278) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile is N#Cc1ccc(Nc2ccc3c(c2)OCCO3)c(F)c1F.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile?
The InChIKey is BOWJMLLBPKESKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-14-9(8-18)1-3-11(15(14)17)19-10-2-4-12-13(7-10)21-6-5-20-12/h1-4,7,19H,5-6H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile?
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile has a molecular weight of 288.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile is sourced from PubChem (CID 107933278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).