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

C16H13Cl2FO — CID 58646944

IUPAC7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran
SMILESCCC1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C16H13Cl2FO/c1-2-11-7-9-6-10(19)8-12(16(9)20-11)15-13(17)4-3-5-14(15)18/h3-6,8,11H,2,7H2,1H3
InChIKeyBZUCYRVPDIVAKW-UHFFFAOYSA-N
MW311.18 g/mol
LogP5.51
Rot. Bonds2

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

7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran (PubChem CID 58646944) has the molecular formula C16H13Cl2FO and a molecular weight of 311.18 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran
PubChem CID58646944
Molecular FormulaC16H13Cl2FO
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran
SMILESCCC1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C16H13Cl2FO/c1-2-11-7-9-6-10(19)8-12(16(9)20-11)15-13(17)4-3-5-14(15)18/h3-6,8,11H,2,7H2,1H3
InChIKeyBZUCYRVPDIVAKW-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.18
LogP ≤ 55.51
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
2,4-Dichloro-1-[[2-(2-phenylethyl)phenoxy]methyl]benzene
CID 90655457
1,3-dichloro-2-[(1S)-1-(3-cyclopropylphenoxy)ethyl]-4-fluorobenzene
CID 166636401
2-Methyl-7-phenyl-2,3-dihydrobenzofuran
CID 610880
2-Chloro-1-fluoro-4-[(2-propan-2-ylphenoxy)methyl]benzene
CID 103041744
2-Chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene
CID 103041754
2-(5-Chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol
CID 103048326
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
2-[(4-Tert-butylphenoxy)methyl]-1-chloro-3-fluorobenzene
CID 957479

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran (CID 58646944) is 7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran is CCC1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1.
What is the InChIKey of 7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran?
The InChIKey is BZUCYRVPDIVAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FO/c1-2-11-7-9-6-10(19)8-12(16(9)20-11)15-13(17)4-3-5-14(15)18/h3-6,8,11H,2,7H2,1H3.
What are the key properties of 7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran?
7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran has a molecular weight of 311.18 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 58646944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).