6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine

C9H9ClFNO — CID 116689673

IUPAC6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1Oc2c(ccc(Cl)c2F)C1N
InChIInChI=1S/C9H9ClFNO/c1-4-8(12)5-2-3-6(10)7(11)9(5)13-4/h2-4,8H,12H2,1H3
InChIKeyHLKMBBLZLVGROU-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.26
Rot. Bonds

About 6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine

6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 116689673) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID116689673
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1Oc2c(ccc(Cl)c2F)C1N
InChIInChI=1S/C9H9ClFNO/c1-4-8(12)5-2-3-6(10)7(11)9(5)13-4/h2-4,8H,12H2,1H3
InChIKeyHLKMBBLZLVGROU-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 116689673) is 6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine is CC1Oc2c(ccc(Cl)c2F)C1N.
What is the InChIKey of 6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is HLKMBBLZLVGROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-4-8(12)5-2-3-6(10)7(11)9(5)13-4/h2-4,8H,12H2,1H3.
What are the key properties of 6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 201.63 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 116689673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).