2,3-difluoro-1,4-dihexoxybenzene

C18H28F2O2 — CID 125465685

IUPAC2,3-difluoro-1,4-dihexoxybenzene
SMILESCCCCCCOc1ccc(OCCCCCC)c(F)c1F
InChIInChI=1S/C18H28F2O2/c1-3-5-7-9-13-21-15-11-12-16(18(20)17(15)19)22-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3
InChIKeyVZPHELFFUNOJDF-UHFFFAOYSA-N
MW314.42 g/mol
LogP5.88
Rot. Bonds12

About 2,3-difluoro-1,4-dihexoxybenzene

2,3-difluoro-1,4-dihexoxybenzene (PubChem CID 125465685) has the molecular formula C18H28F2O2 and a molecular weight of 314.42 g/mol. Its IUPAC name is 2,3-difluoro-1,4-dihexoxybenzene.

Molecular Properties

Compound Name2,3-difluoro-1,4-dihexoxybenzene
PubChem CID125465685
Molecular FormulaC18H28F2O2
Molecular Weight314.42 g/mol
Exact Mass314.21
IUPAC Name2,3-difluoro-1,4-dihexoxybenzene
SMILESCCCCCCOc1ccc(OCCCCCC)c(F)c1F
InChIInChI=1S/C18H28F2O2/c1-3-5-7-9-13-21-15-11-12-16(18(20)17(15)19)22-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3
InChIKeyVZPHELFFUNOJDF-UHFFFAOYSA-N
XLogP5.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.42
LogP ≤ 55.88
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-butoxy-2,3-difluoro-4-heptoxybenzene;1-butoxy-2,3-difluoro-4-hexoxybenzene;1-butoxy-2,3-difluoro-4-octoxybenzene;1-butoxy-2,3-difluoro-4-pentoxybenzene;2,3-difluoro-1-methoxy-4-nonoxybenzene;2,3-difluoro-1-methoxy-4-octoxybenzene
CID 159048658
2,3-difluoro-1-hexoxy-4-iodobenzene
CID 57049487
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760
1,8-difluoro-2-hexoxy-7-nonoxyphenanthrene
CID 21267305
1,8-difluoro-2-nonoxy-7-octoxyphenanthrene
CID 21267352
bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene)
CID 162113743
2,3-difluoro-1-iodo-4-pentoxybenzene
CID 20632201
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene
CID 118188447
1-butoxy-2,3-difluoro-4-(4-fluorobutoxy)benzene
CID 153282559
1-butoxy-2,3-difluoro-4-octoxybenzene;bis(2,3-difluoro-1-heptoxy-4-propoxybenzene);2,3-difluoro-1-methoxy-4-nonoxybenzene;2,3-difluoro-1-methoxy-4-octoxybenzene;1-ethoxy-2,3-difluoro-4-octoxybenzene
CID 158241991
1-butoxy-2,3,4-trifluorobenzene
CID 53441447
1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1,4-dihexoxybenzene?
The IUPAC name of 2,3-difluoro-1,4-dihexoxybenzene (CID 125465685) is 2,3-difluoro-1,4-dihexoxybenzene.
What is the SMILES notation for 2,3-difluoro-1,4-dihexoxybenzene?
The canonical SMILES for 2,3-difluoro-1,4-dihexoxybenzene is CCCCCCOc1ccc(OCCCCCC)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1,4-dihexoxybenzene?
The InChIKey is VZPHELFFUNOJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2O2/c1-3-5-7-9-13-21-15-11-12-16(18(20)17(15)19)22-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3.
What are the key properties of 2,3-difluoro-1,4-dihexoxybenzene?
2,3-difluoro-1,4-dihexoxybenzene has a molecular weight of 314.42 g/mol, XLogP of 5.88, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1,4-dihexoxybenzene is sourced from PubChem (CID 125465685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).