N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine

C12H15F2NO — CID 64660615

IUPACN,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2c(F)ccc(F)c2OC1CC
InChIInChI=1S/C12H15F2NO/c1-3-9-11(15-4-2)10-7(13)5-6-8(14)12(10)16-9/h5-6,9,11,15H,3-4H2,1-2H3
InChIKeyTVRDYWUZRBOPQZ-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.79
Rot. Bonds3

About N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine

N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64660615) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64660615
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2c(F)ccc(F)c2OC1CC
InChIInChI=1S/C12H15F2NO/c1-3-9-11(15-4-2)10-7(13)5-6-8(14)12(10)16-9/h5-6,9,11,15H,3-4H2,1-2H3
InChIKeyTVRDYWUZRBOPQZ-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine (CID 64660615) is N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine is CCNC1c2c(F)ccc(F)c2OC1CC.
What is the InChIKey of N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is TVRDYWUZRBOPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-3-9-11(15-4-2)10-7(13)5-6-8(14)12(10)16-9/h5-6,9,11,15H,3-4H2,1-2H3.
What are the key properties of N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine?
N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 227.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64660615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).