1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene

C17H17F3O2 — CID 118191581

IUPAC1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2ccc(OCC)c(F)c2F)cc1F
InChIInChI=1S/C17H17F3O2/c1-3-9-22-14-7-5-11(10-13(14)18)12-6-8-15(21-4-2)17(20)16(12)19/h5-8,10H,3-4,9H2,1-2H3
InChIKeyUECKMRNRGJTRMS-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.96
Rot. Bonds6

About 1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene

1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene (PubChem CID 118191581) has the molecular formula C17H17F3O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
PubChem CID118191581
Molecular FormulaC17H17F3O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2ccc(OCC)c(F)c2F)cc1F
InChIInChI=1S/C17H17F3O2/c1-3-9-22-14-7-5-11(10-13(14)18)12-6-8-15(21-4-2)17(20)16(12)19/h5-8,10H,3-4,9H2,1-2H3
InChIKeyUECKMRNRGJTRMS-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
CID 134386235
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol
CID 118188401
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene
CID 174492898
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene
CID 59874030
2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 69110371
2-chloro-3-fluoro-1-(3-fluoro-4-hexoxyphenyl)-4-pentoxybenzene
CID 125479166
2,3-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-pentoxybenzene
CID 121369863
[2,3-difluoro-4-(3-fluoro-4-octoxyphenyl)phenyl]boronic acid
CID 58671908
1-[4-(4-ethylphenyl)-3-fluorophenyl]-2,3-difluoro-4-hexoxybenzene
CID 121369845
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764610

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene (CID 118191581) is 1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene is CCCOc1ccc(-c2ccc(OCC)c(F)c2F)cc1F.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene?
The InChIKey is UECKMRNRGJTRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O2/c1-3-9-22-14-7-5-11(10-13(14)18)12-6-8-15(21-4-2)17(20)16(12)19/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene?
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene has a molecular weight of 310.32 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene is sourced from PubChem (CID 118191581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).