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

C11H11F2NO — CID 62786136

IUPACN-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine
SMILESFc1cc(F)c2c(c1)OCC2NC1CC1
InChIInChI=1S/C11H11F2NO/c12-6-3-8(13)11-9(14-7-1-2-7)5-15-10(11)4-6/h3-4,7,9,14H,1-2,5H2
InChIKeyFYLIWFALKWQJII-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.15
Rot. Bonds2

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

N-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 62786136) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is N-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine
PubChem CID62786136
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC NameN-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine
SMILESFc1cc(F)c2c(c1)OCC2NC1CC1
InChIInChI=1S/C11H11F2NO/c12-6-3-8(13)11-9(14-7-1-2-7)5-15-10(11)4-6/h3-4,7,9,14H,1-2,5H2
InChIKeyFYLIWFALKWQJII-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine (CID 62786136) is N-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine is Fc1cc(F)c2c(c1)OCC2NC1CC1.
What is the InChIKey of N-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is FYLIWFALKWQJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c12-6-3-8(13)11-9(14-7-1-2-7)5-15-10(11)4-6/h3-4,7,9,14H,1-2,5H2.
What are the key properties of N-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine?
N-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 211.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 62786136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).