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

C8H6ClFO — CID 171787916

IUPAC5-chloro-6-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1cc2c(cc1Cl)CCO2
InChIInChI=1S/C8H6ClFO/c9-6-3-5-1-2-11-8(5)4-7(6)10/h3-4H,1-2H2
InChIKeyDJTDYTFGLBJLTF-UHFFFAOYSA-N
MW172.59 g/mol
LogP2.41
Rot. Bonds

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

5-chloro-6-fluoro-2,3-dihydro-1-benzofuran (PubChem CID 171787916) has the molecular formula C8H6ClFO and a molecular weight of 172.59 g/mol. Its IUPAC name is 5-chloro-6-fluoro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-6-fluoro-2,3-dihydro-1-benzofuran
PubChem CID171787916
Molecular FormulaC8H6ClFO
Molecular Weight172.59 g/mol
Exact Mass172.01
IUPAC Name5-chloro-6-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1cc2c(cc1Cl)CCO2
InChIInChI=1S/C8H6ClFO/c9-6-3-5-1-2-11-8(5)4-7(6)10/h3-4H,1-2H2
InChIKeyDJTDYTFGLBJLTF-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-benzyl-6-chloro-2H-chromene
CID 45273259
6-chloro-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2H-chromene
CID 52945644
(3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene
CID 57397605
6-chloro-3-phenyl-2H-chromene
CID 500461
6-chloro-3-(4-chlorophenyl)-2H-chromene
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-6-fluoro-2,3-dihydro-1-benzofuran (CID 171787916) is 5-chloro-6-fluoro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-6-fluoro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-6-fluoro-2,3-dihydro-1-benzofuran is Fc1cc2c(cc1Cl)CCO2.
What is the InChIKey of 5-chloro-6-fluoro-2,3-dihydro-1-benzofuran?
The InChIKey is DJTDYTFGLBJLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO/c9-6-3-5-1-2-11-8(5)4-7(6)10/h3-4H,1-2H2.
What are the key properties of 5-chloro-6-fluoro-2,3-dihydro-1-benzofuran?
5-chloro-6-fluoro-2,3-dihydro-1-benzofuran has a molecular weight of 172.59 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 171787916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).