N-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine

C11H13F2NO — CID 62784825

IUPACN-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2c(F)cc(F)cc2OC1C
InChIInChI=1S/C11H13F2NO/c1-3-14-11-6(2)15-9-5-7(12)4-8(13)10(9)11/h4-6,11,14H,3H2,1-2H3
InChIKeyLVHJZZCWWDHWDR-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.40
Rot. Bonds2

About N-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine

N-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 62784825) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is N-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID62784825
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2c(F)cc(F)cc2OC1C
InChIInChI=1S/C11H13F2NO/c1-3-14-11-6(2)15-9-5-7(12)4-8(13)10(9)11/h4-6,11,14H,3H2,1-2H3
InChIKeyLVHJZZCWWDHWDR-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 62784825) is N-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine is CCNC1c2c(F)cc(F)cc2OC1C.
What is the InChIKey of N-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is LVHJZZCWWDHWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-3-14-11-6(2)15-9-5-7(12)4-8(13)10(9)11/h4-6,11,14H,3H2,1-2H3.
What are the key properties of N-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
N-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 213.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 62784825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).