5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran

C9H8ClFO — CID 170773422

IUPAC5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran
SMILESCc1c(Cl)cc(F)c2c1CCO2
InChIInChI=1S/C9H8ClFO/c1-5-6-2-3-12-9(6)8(11)4-7(5)10/h4H,2-3H2,1H3
InChIKeyQOPDYQLXEVUBMU-UHFFFAOYSA-N
MW186.61 g/mol
LogP2.72
Rot. Bonds

About 5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran

5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran (PubChem CID 170773422) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran
PubChem CID170773422
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran
SMILESCc1c(Cl)cc(F)c2c1CCO2
InChIInChI=1S/C9H8ClFO/c1-5-6-2-3-12-9(6)8(11)4-7(5)10/h4H,2-3H2,1H3
InChIKeyQOPDYQLXEVUBMU-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran (CID 170773422) is 5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran is Cc1c(Cl)cc(F)c2c1CCO2.
What is the InChIKey of 5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is QOPDYQLXEVUBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c1-5-6-2-3-12-9(6)8(11)4-7(5)10/h4H,2-3H2,1H3.
What are the key properties of 5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran?
5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 186.61 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-4-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 170773422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).