5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine

C11H11BrFNO — CID 43512253

IUPAC5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine
SMILESFc1cc(Br)cc2c1OCC2NC1CC1
InChIInChI=1S/C11H11BrFNO/c12-6-3-8-10(14-7-1-2-7)5-15-11(8)9(13)4-6/h3-4,7,10,14H,1-2,5H2
InChIKeyOYZWRSAJGFWFPE-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.77
Rot. Bonds2

About 5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine

5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512253) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512253
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine
SMILESFc1cc(Br)cc2c1OCC2NC1CC1
InChIInChI=1S/C11H11BrFNO/c12-6-3-8-10(14-7-1-2-7)5-15-11(8)9(13)4-6/h3-4,7,10,14H,1-2,5H2
InChIKeyOYZWRSAJGFWFPE-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine
CID 54911039
5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512040
5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512651
6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43537674
N-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine
CID 62786136
5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 64719068
5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 64719518
7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512699
4-bromo-6,7-difluoro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 107100730
5-bromo-N-methoxy-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 115402549
6,8-dibromo-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64719069
7-bromo-9-fluoro-3-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82233598

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine (CID 43512253) is 5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine is Fc1cc(Br)cc2c1OCC2NC1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is OYZWRSAJGFWFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c12-6-3-8-10(14-7-1-2-7)5-15-11(8)9(13)4-6/h3-4,7,10,14H,1-2,5H2.
What are the key properties of 5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine?
5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 272.12 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).