2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine

C11H13F2NO — CID 84782675

IUPAC2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
SMILESCC(C)(N)c1c(F)cc2c(c1F)CCO2
InChIInChI=1S/C11H13F2NO/c1-11(2,14)9-7(12)5-8-6(10(9)13)3-4-15-8/h5H,3-4,14H2,1-2H3
InChIKeyQTPQOLCQBAODSW-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.09
Rot. Bonds1

About 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine

2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine (PubChem CID 84782675) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
PubChem CID84782675
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
SMILESCC(C)(N)c1c(F)cc2c(c1F)CCO2
InChIInChI=1S/C11H13F2NO/c1-11(2,14)9-7(12)5-8-6(10(9)13)3-4-15-8/h5H,3-4,14H2,1-2H3
InChIKeyQTPQOLCQBAODSW-UHFFFAOYSA-N
XLogP2.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 84769578
2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 84792628
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine
CID 117322946
3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 84791240
(3S,4R)-4-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)-3-methylpyrrolidin-2-one
CID 126653349
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine
CID 84800463
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride
CID 84812515
4-fluoro-2,3-dihydro-1-benzofuran-5-amine
CID 82373061
1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-2-amine
CID 117391135
2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 82374515
(3S,4R)-4-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 118132812
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117323267

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
The IUPAC name of 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine (CID 84782675) is 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine.
What is the SMILES notation for 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
The canonical SMILES for 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine is CC(C)(N)c1c(F)cc2c(c1F)CCO2.
What is the InChIKey of 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
The InChIKey is QTPQOLCQBAODSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-11(2,14)9-7(12)5-8-6(10(9)13)3-4-15-8/h5H,3-4,14H2,1-2H3.
What are the key properties of 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine has a molecular weight of 213.23 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine is sourced from PubChem (CID 84782675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).