1-butoxy-2,3-difluoro-4-methoxybenzene

C11H14F2O2 — CID 118933366

IUPAC1-butoxy-2,3-difluoro-4-methoxybenzene
SMILESCCCCOc1ccc(OC)c(F)c1F
InChIInChI=1S/C11H14F2O2/c1-3-4-7-15-9-6-5-8(14-2)10(12)11(9)13/h5-6H,3-4,7H2,1-2H3
InChIKeyJBFMUCWMAUBHFN-UHFFFAOYSA-N
MW216.23 g/mol
LogP3.15
Rot. Bonds5

About 1-butoxy-2,3-difluoro-4-methoxybenzene

1-butoxy-2,3-difluoro-4-methoxybenzene (PubChem CID 118933366) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-butoxy-2,3-difluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-butoxy-2,3-difluoro-4-methoxybenzene
PubChem CID118933366
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1-butoxy-2,3-difluoro-4-methoxybenzene
SMILESCCCCOc1ccc(OC)c(F)c1F
InChIInChI=1S/C11H14F2O2/c1-3-4-7-15-9-6-5-8(14-2)10(12)11(9)13/h5-6H,3-4,7H2,1-2H3
InChIKeyJBFMUCWMAUBHFN-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 53.15
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
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
3-butoxy-4,6-difluoro-7-methoxydibenzofuran
CID 121245755
3-butoxy-4,6-difluoro-7-methoxydibenzothiophene
CID 118458293
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
1-butoxy-2,3-difluoro-4-(4-fluorobutoxy)benzene
CID 153282559
1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene
CID 170380825
1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene
CID 145231747
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
1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene
CID 126583756
1-[(E)-but-2-enoxy]-4-butoxy-2,3-difluorobenzene
CID 170380762

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,3-difluoro-4-methoxybenzene?
The IUPAC name of 1-butoxy-2,3-difluoro-4-methoxybenzene (CID 118933366) is 1-butoxy-2,3-difluoro-4-methoxybenzene.
What is the SMILES notation for 1-butoxy-2,3-difluoro-4-methoxybenzene?
The canonical SMILES for 1-butoxy-2,3-difluoro-4-methoxybenzene is CCCCOc1ccc(OC)c(F)c1F.
What is the InChIKey of 1-butoxy-2,3-difluoro-4-methoxybenzene?
The InChIKey is JBFMUCWMAUBHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-3-4-7-15-9-6-5-8(14-2)10(12)11(9)13/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-butoxy-2,3-difluoro-4-methoxybenzene?
1-butoxy-2,3-difluoro-4-methoxybenzene has a molecular weight of 216.23 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,3-difluoro-4-methoxybenzene is sourced from PubChem (CID 118933366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).