(1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine

C10H11F2NO — CID 138750557

IUPAC(1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine
SMILESC[C@@H](N)c1cccc2c1OCC2(F)F
InChIInChI=1S/C10H11F2NO/c1-6(13)7-3-2-4-8-9(7)14-5-10(8,11)12/h2-4,6H,5,13H2,1H3/t6-/m1/s1
InChIKeyQEFRXRHFSGSRPO-ZCFIWIBFSA-N
MW199.20 g/mol
LogP2.19
Rot. Bonds1

About (1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine

(1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine (PubChem CID 138750557) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is (1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine
PubChem CID138750557
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name(1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine
SMILESC[C@@H](N)c1cccc2c1OCC2(F)F
InChIInChI=1S/C10H11F2NO/c1-6(13)7-3-2-4-8-9(7)14-5-10(8,11)12/h2-4,6H,5,13H2,1H3/t6-/m1/s1
InChIKeyQEFRXRHFSGSRPO-ZCFIWIBFSA-N
XLogP2.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine?
The IUPAC name of (1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine (CID 138750557) is (1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine.
What is the SMILES notation for (1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine?
The canonical SMILES for (1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine is C[C@@H](N)c1cccc2c1OCC2(F)F.
What is the InChIKey of (1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine?
The InChIKey is QEFRXRHFSGSRPO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-6(13)7-3-2-4-8-9(7)14-5-10(8,11)12/h2-4,6H,5,13H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine?
(1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine has a molecular weight of 199.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine is sourced from PubChem (CID 138750557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).