2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene

C13H15F3O2 — CID 153282355

IUPAC2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(OCC(F)CC)c(F)c1F
InChIInChI=1S/C13H15F3O2/c1-3-7-17-10-5-6-11(13(16)12(10)15)18-8-9(14)4-2/h3,5-6,9H,1,4,7-8H2,2H3
InChIKeyVIRMHQGELVCTEP-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.66
Rot. Bonds7

About 2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene

2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene (PubChem CID 153282355) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene
PubChem CID153282355
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(OCC(F)CC)c(F)c1F
InChIInChI=1S/C13H15F3O2/c1-3-7-17-10-5-6-11(13(16)12(10)15)18-8-9(14)4-2/h3,5-6,9H,1,4,7-8H2,2H3
InChIKeyVIRMHQGELVCTEP-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene
CID 153282415
2,3-difluoro-4-(2-fluorobutoxy)phenol
CID 148965171
1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene
CID 153282442
1-(2,2-difluoro-3-methylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene
CID 153282655
1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene
CID 153282338
1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 118191628
tris(2,3-difluoro-1-methyl-4-[(Z)-pent-2-enoxy]benzene);2,3-difluoro-1-methyl-4-prop-2-enoxybenzene
CID 157453957
2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene
CID 153282509
1-bromo-4-(2,2-difluoroethoxy)-2,3-difluorobenzene
CID 138986532
1-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 134358599
1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
CID 118191513
CID 59875928
CID 59875928

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene?
The IUPAC name of 2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene (CID 153282355) is 2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene.
What is the SMILES notation for 2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene?
The canonical SMILES for 2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene is C=CCOc1ccc(OCC(F)CC)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene?
The InChIKey is VIRMHQGELVCTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-3-7-17-10-5-6-11(13(16)12(10)15)18-8-9(14)4-2/h3,5-6,9H,1,4,7-8H2,2H3.
What are the key properties of 2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene?
2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene has a molecular weight of 260.25 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene is sourced from PubChem (CID 153282355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).