7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran

C15H11Cl2FO — CID 69107953

IUPAC7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C15H11Cl2FO/c1-8-5-9-6-10(18)7-11(15(9)19-8)14-12(16)3-2-4-13(14)17/h2-4,6-8H,5H2,1H3
InChIKeyBPGDGPYXWZHBNC-UHFFFAOYSA-N
MW297.16 g/mol
LogP5.12
Rot. Bonds1

About 7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran

7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 69107953) has the molecular formula C15H11Cl2FO and a molecular weight of 297.16 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID69107953
Molecular FormulaC15H11Cl2FO
Molecular Weight297.16 g/mol
Exact Mass296.02
IUPAC Name7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C15H11Cl2FO/c1-8-5-9-6-10(18)7-11(15(9)19-8)14-12(16)3-2-4-13(14)17/h2-4,6-8H,5H2,1H3
InChIKeyBPGDGPYXWZHBNC-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.16
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[7-(2,4-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11404165
(+/-)-{[7-(2,6-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}methylamine
CID 15941779
2-(2,4-dichlorophenyl)-2H-chromene
CID 118716788
1,3-dichloro-2-[(1S)-1-(3-cyclopropylphenoxy)ethyl]-4-fluorobenzene
CID 166636401
2-Methyl-7-phenyl-2,3-dihydrobenzofuran
CID 610880
1-[(2-Chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene
CID 135073737
5-Chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran
CID 154714445
4-Chloro-2-(2-chloro-6-fluorophenyl)-2H-1-benzopyran
CID 53486520
1-Chloro-3-fluoro-2-(phenoxymethyl)benzene
CID 957498
(+/-)-1-[7-(2-Chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11288935
[7-(2,6-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11426940
(+/-)-{[7-(2,6-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}dimethylamine
CID 11439224

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran (CID 69107953) is 7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran is CC1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1.
What is the InChIKey of 7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is BPGDGPYXWZHBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO/c1-8-5-9-6-10(18)7-11(15(9)19-8)14-12(16)3-2-4-13(14)17/h2-4,6-8H,5H2,1H3.
What are the key properties of 7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran?
7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 297.16 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichlorophenyl)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69107953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).