1-dodecoxy-2,3-difluorobenzene

C18H28F2O — CID 15854521

IUPAC1-dodecoxy-2,3-difluorobenzene
SMILESCCCCCCCCCCCCOc1cccc(F)c1F
InChIInChI=1S/C18H28F2O/c1-2-3-4-5-6-7-8-9-10-11-15-21-17-14-12-13-16(19)18(17)20/h12-14H,2-11,15H2,1H3
InChIKeyVIZOMNCPGWBAPC-UHFFFAOYSA-N
MW298.42 g/mol
LogP6.26
Rot. Bonds12

About 1-dodecoxy-2,3-difluorobenzene

1-dodecoxy-2,3-difluorobenzene (PubChem CID 15854521) has the molecular formula C18H28F2O and a molecular weight of 298.42 g/mol. Its IUPAC name is 1-dodecoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-dodecoxy-2,3-difluorobenzene
PubChem CID15854521
Molecular FormulaC18H28F2O
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name1-dodecoxy-2,3-difluorobenzene
SMILESCCCCCCCCCCCCOc1cccc(F)c1F
InChIInChI=1S/C18H28F2O/c1-2-3-4-5-6-7-8-9-10-11-15-21-17-14-12-13-16(19)18(17)20/h12-14H,2-11,15H2,1H3
InChIKeyVIZOMNCPGWBAPC-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.42
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
2-fluoro-1-hexoxy-3-methylbenzene
CID 107662011
2-fluoro-1-[2-(2-fluoro-3-octoxyphenyl)ethyl]-3-octoxybenzene
CID 139679650
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
2-fluoro-1-[2-(2-fluoro-3-octoxyphenyl)ethenyl]-3-octoxybenzene
CID 54508553
1-(bromomethyl)-2-fluoro-3-octoxybenzene
CID 19033781
4-(2,3-difluorophenoxy)butoxyphosphane
CID 59036591
1,2-difluoro-3-(2-fluorooctoxy)benzene
CID 57225933
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
1-fluoro-2-nitro-3-octoxybenzene
CID 63504973
1,2,3-trihexadecoxybenzene
CID 15518170
2-(2,3-difluorophenoxy)ethanamine
CID 63036211

Frequently Asked Questions

What is the IUPAC name of 1-dodecoxy-2,3-difluorobenzene?
The IUPAC name of 1-dodecoxy-2,3-difluorobenzene (CID 15854521) is 1-dodecoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-dodecoxy-2,3-difluorobenzene?
The canonical SMILES for 1-dodecoxy-2,3-difluorobenzene is CCCCCCCCCCCCOc1cccc(F)c1F.
What is the InChIKey of 1-dodecoxy-2,3-difluorobenzene?
The InChIKey is VIZOMNCPGWBAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2O/c1-2-3-4-5-6-7-8-9-10-11-15-21-17-14-12-13-16(19)18(17)20/h12-14H,2-11,15H2,1H3.
What are the key properties of 1-dodecoxy-2,3-difluorobenzene?
1-dodecoxy-2,3-difluorobenzene has a molecular weight of 298.42 g/mol, XLogP of 6.26, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecoxy-2,3-difluorobenzene is sourced from PubChem (CID 15854521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).