1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene

C19H20F4O2 — CID 71446254

IUPAC1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
SMILESFc1cccc(OCCCCCCCOc2cccc(F)c2F)c1F
InChIInChI=1S/C19H20F4O2/c20-14-8-6-10-16(18(14)22)24-12-4-2-1-3-5-13-25-17-11-7-9-15(21)19(17)23/h6-11H,1-5,12-13H2
InChIKeyTUSZBULUXYVMDX-UHFFFAOYSA-N
MW356.36 g/mol
LogP5.65
Rot. Bonds10

About 1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene

1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene (PubChem CID 71446254) has the molecular formula C19H20F4O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
PubChem CID71446254
Molecular FormulaC19H20F4O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
SMILESFc1cccc(OCCCCCCCOc2cccc(F)c2F)c1F
InChIInChI=1S/C19H20F4O2/c20-14-8-6-10-16(18(14)22)24-12-4-2-1-3-5-13-25-17-11-7-9-15(21)19(17)23/h6-11H,1-5,12-13H2
InChIKeyTUSZBULUXYVMDX-UHFFFAOYSA-N
XLogP5.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.36
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-dodecoxy-2,3-difluorobenzene
CID 15854521
4-(2,3-difluorophenoxy)butoxyphosphane
CID 59036591
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
1,2-difluoro-3-pent-4-ynoxybenzene
CID 115871030
1,2-difluoro-3-(2-methylsulfanylethoxy)benzene
CID 103907571
5-(2,3-difluorophenoxy)pentan-2-ol
CID 63036089
N-[3-(2,3-difluorophenoxy)propyl]aniline
CID 55143618
CID 175374084
CID 175374084
5-(2,3-difluorophenoxy)pentanehydrazide
CID 63569509
1-[2-(2-chloroethoxy)ethoxy]-2,3-difluorobenzene
CID 63665653
4-(2,3-difluorophenoxy)butanehydrazide
CID 63568959

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene?
The IUPAC name of 1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene (CID 71446254) is 1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene.
What is the SMILES notation for 1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene?
The canonical SMILES for 1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene is Fc1cccc(OCCCCCCCOc2cccc(F)c2F)c1F.
What is the InChIKey of 1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene?
The InChIKey is TUSZBULUXYVMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4O2/c20-14-8-6-10-16(18(14)22)24-12-4-2-1-3-5-13-25-17-11-7-9-15(21)19(17)23/h6-11H,1-5,12-13H2.
What are the key properties of 1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene?
1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene has a molecular weight of 356.36 g/mol, XLogP of 5.65, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene is sourced from PubChem (CID 71446254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).