1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene

C15H12F4O — CID 134386235

IUPAC1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
SMILESCCCOc1ccc(-c2ccc(F)c(F)c2)c(F)c1F
InChIInChI=1S/C15H12F4O/c1-2-7-20-13-6-4-10(14(18)15(13)19)9-3-5-11(16)12(17)8-9/h3-6,8H,2,7H2,1H3
InChIKeyHTIVKZWTJRRZSP-UHFFFAOYSA-N
MW284.25 g/mol
LogP4.70
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene

1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene (PubChem CID 134386235) has the molecular formula C15H12F4O and a molecular weight of 284.25 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
PubChem CID134386235
Molecular FormulaC15H12F4O
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Name1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
SMILESCCCOc1ccc(-c2ccc(F)c(F)c2)c(F)c1F
InChIInChI=1S/C15H12F4O/c1-2-7-20-13-6-4-10(14(18)15(13)19)9-3-5-11(16)12(17)8-9/h3-6,8H,2,7H2,1H3
InChIKeyHTIVKZWTJRRZSP-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene
CID 59874030
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
1-[4-(4-ethylphenyl)-3-fluorophenyl]-2,3-difluoro-4-hexoxybenzene
CID 121369845
2,3-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-pentoxybenzene
CID 121369863
1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene
CID 19436305
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-pentoxybenzene
CID 121369867
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760
2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene
CID 174492898
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764610
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane
CID 126764609

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene?
The IUPAC name of 1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene (CID 134386235) is 1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene?
The canonical SMILES for 1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene is CCCOc1ccc(-c2ccc(F)c(F)c2)c(F)c1F.
What is the InChIKey of 1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene?
The InChIKey is HTIVKZWTJRRZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O/c1-2-7-20-13-6-4-10(14(18)15(13)19)9-3-5-11(16)12(17)8-9/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene?
1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene has a molecular weight of 284.25 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene is sourced from PubChem (CID 134386235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).