2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine

C12H13F2NO — CID 80604441

IUPAC2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(C)(c1cc2ccccc2o1)C(F)F
InChIInChI=1S/C12H13F2NO/c1-12(15-2,11(13)14)10-7-8-5-3-4-6-9(8)16-10/h3-7,11,15H,1-2H3
InChIKeyQODVFDFIFOSGJS-UHFFFAOYSA-N
MW225.24 g/mol
LogP3.13
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine

2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine (PubChem CID 80604441) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine
PubChem CID80604441
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(C)(c1cc2ccccc2o1)C(F)F
InChIInChI=1S/C12H13F2NO/c1-12(15-2,11(13)14)10-7-8-5-3-4-6-9(8)16-10/h3-7,11,15H,1-2H3
InChIKeyQODVFDFIFOSGJS-UHFFFAOYSA-N
XLogP3.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpentan-3-yl)-1-benzofuran
CID 143330930
1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
CID 103759858
1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine
CID 80604679
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103312315
1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 114724590
N-ethyl-1-benzofuran-2-amine;hydrochloride
CID 23165634
methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate
CID 43725995
N,N-dimethyl-1-benzofuran-2-amine
CID 21259133
1-benzofuran-2-ylhydrazine
CID 114737431
1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 63089727
4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile
CID 114724519
3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine
CID 114736041

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine?
The IUPAC name of 2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine (CID 80604441) is 2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine is CNC(C)(c1cc2ccccc2o1)C(F)F.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine?
The InChIKey is QODVFDFIFOSGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-12(15-2,11(13)14)10-7-8-5-3-4-6-9(8)16-10/h3-7,11,15H,1-2H3.
What are the key properties of 2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine?
2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine has a molecular weight of 225.24 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine is sourced from PubChem (CID 80604441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).