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

C9H9ClFNO — CID 82716593

IUPAC5-chloro-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1Oc2cc(F)c(Cl)cc2C1N
InChIInChI=1S/C9H9ClFNO/c1-4-9(12)5-2-6(10)7(11)3-8(5)13-4/h2-4,9H,12H2,1H3
InChIKeyFGGCTPMOWSXBBT-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.26
Rot. Bonds

About 5-chloro-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine

5-chloro-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 82716593) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 5-chloro-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID82716593
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name5-chloro-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1Oc2cc(F)c(Cl)cc2C1N
InChIInChI=1S/C9H9ClFNO/c1-4-9(12)5-2-6(10)7(11)3-8(5)13-4/h2-4,9H,12H2,1H3
InChIKeyFGGCTPMOWSXBBT-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 5-chloro-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-chloro-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 82716593) is 5-chloro-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-chloro-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-chloro-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine is CC1Oc2cc(F)c(Cl)cc2C1N.
What is the InChIKey of 5-chloro-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is FGGCTPMOWSXBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-4-9(12)5-2-6(10)7(11)3-8(5)13-4/h2-4,9H,12H2,1H3.
What are the key properties of 5-chloro-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
5-chloro-6-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 5-chloro-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 82716593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).