7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran

C19H20F2O2 — CID 141271164

IUPAC7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran
SMILESCCc1cccc(OCc2cc(F)cc3c2OC(C)(C)C3)c1F
InChIInChI=1S/C19H20F2O2/c1-4-12-6-5-7-16(17(12)21)22-11-14-9-15(20)8-13-10-19(2,3)23-18(13)14/h5-9H,4,10-11H2,1-3H3
InChIKeyMSONSXSRKHTLNQ-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.82
Rot. Bonds4

About 7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran

7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran (PubChem CID 141271164) has the molecular formula C19H20F2O2 and a molecular weight of 318.36 g/mol. Its IUPAC name is 7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran
PubChem CID141271164
Molecular FormulaC19H20F2O2
Molecular Weight318.36 g/mol
Exact Mass318.14
IUPAC Name7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran
SMILESCCc1cccc(OCc2cc(F)cc3c2OC(C)(C)C3)c1F
InChIInChI=1S/C19H20F2O2/c1-4-12-6-5-7-16(17(12)21)22-11-14-9-15(20)8-13-10-19(2,3)23-18(13)14/h5-9H,4,10-11H2,1-3H3
InChIKeyMSONSXSRKHTLNQ-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran with MolForge

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Launch Full Analysis

Related Compounds

2-[2-ethyl-3-fluoro-4-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]phenyl]propanoic acid
CID 159174082
5-fluoro-7-[(2-fluoro-5-methylphenoxy)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 141271185
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-fluoroaniline
CID 64769409
3-[3-fluoro-4-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2-(3-methylbutyl)phenyl]propanoic acid
CID 58566369
[4-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3,5-trimethylphenyl] propanoate
CID 90465692
3-[2-ethoxy-4-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]phenyl]propanoic acid
CID 58566486
3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid
CID 58566792
3-[4-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2-ethyl-3-fluorophenyl]-2-methylpropanoic acid
CID 58566341
7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran
CID 79698697
7-[2-(chloromethyl)-4-fluorophenoxy]-2,2-dimethyl-3H-1-benzofuran
CID 43313592
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
3-bromo-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline
CID 60790561

Frequently Asked Questions

What is the IUPAC name of 7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran?
The IUPAC name of 7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran (CID 141271164) is 7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran.
What is the SMILES notation for 7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran?
The canonical SMILES for 7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran is CCc1cccc(OCc2cc(F)cc3c2OC(C)(C)C3)c1F.
What is the InChIKey of 7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran?
The InChIKey is MSONSXSRKHTLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O2/c1-4-12-6-5-7-16(17(12)21)22-11-14-9-15(20)8-13-10-19(2,3)23-18(13)14/h5-9H,4,10-11H2,1-3H3.
What are the key properties of 7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran?
7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran has a molecular weight of 318.36 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-ethyl-2-fluorophenoxy)methyl]-5-fluoro-2,2-dimethyl-3H-1-benzofuran is sourced from PubChem (CID 141271164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).