1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine

C11H11F2NO — CID 103759858

IUPAC1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
SMILESCNC(c1cc2ccccc2o1)C(F)F
InChIInChI=1S/C11H11F2NO/c1-14-10(11(12)13)9-6-7-4-2-3-5-8(7)15-9/h2-6,10-11,14H,1H3
InChIKeyPHHJHJGFKPUQBI-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.96
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine

1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine (PubChem CID 103759858) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
PubChem CID103759858
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
SMILESCNC(c1cc2ccccc2o1)C(F)F
InChIInChI=1S/C11H11F2NO/c1-14-10(11(12)13)9-6-7-4-2-3-5-8(7)15-9/h2-6,10-11,14H,1H3
InChIKeyPHHJHJGFKPUQBI-UHFFFAOYSA-N
XLogP2.96
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103312315
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731162
1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 105044033
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588
1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192280
2-butan-2-yl-1-benzofuran
CID 12065919
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66274561

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine (CID 103759858) is 1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine is CNC(c1cc2ccccc2o1)C(F)F.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine?
The InChIKey is PHHJHJGFKPUQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-14-10(11(12)13)9-6-7-4-2-3-5-8(7)15-9/h2-6,10-11,14H,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine?
1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine has a molecular weight of 211.21 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 103759858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).