4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine

C14H19F2NO — CID 83049410

IUPAC4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2c(F)cc(F)cc2OC1CCC
InChIInChI=1S/C14H19F2NO/c1-3-5-11-14(17-6-4-2)13-10(16)7-9(15)8-12(13)18-11/h7-8,11,14,17H,3-6H2,1-2H3
InChIKeyQBTAOXHIEXXFCF-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.57
Rot. Bonds5

About 4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine

4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049410) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049410
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2c(F)cc(F)cc2OC1CCC
InChIInChI=1S/C14H19F2NO/c1-3-5-11-14(17-6-4-2)13-10(16)7-9(15)8-12(13)18-11/h7-8,11,14,17H,3-6H2,1-2H3
InChIKeyQBTAOXHIEXXFCF-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049410) is 4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1c2c(F)cc(F)cc2OC1CCC.
What is the InChIKey of 4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is QBTAOXHIEXXFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-3-5-11-14(17-6-4-2)13-10(16)7-9(15)8-12(13)18-11/h7-8,11,14,17H,3-6H2,1-2H3.
What are the key properties of 4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 255.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).