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

C13H14F4O2 — CID 153282338

IUPAC1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(OCC(F)(F)CC)c(F)c1F
InChIInChI=1S/C13H14F4O2/c1-3-7-18-9-5-6-10(12(15)11(9)14)19-8-13(16,17)4-2/h3,5-6H,1,4,7-8H2,2H3
InChIKeyXMEHBDXJRGNFNP-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.95
Rot. Bonds7

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

1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene (PubChem CID 153282338) has the molecular formula C13H14F4O2 and a molecular weight of 278.25 g/mol. Its IUPAC name is 1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene
PubChem CID153282338
Molecular FormulaC13H14F4O2
Molecular Weight278.25 g/mol
Exact Mass278.09
IUPAC Name1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(OCC(F)(F)CC)c(F)c1F
InChIInChI=1S/C13H14F4O2/c1-3-7-18-9-5-6-10(12(15)11(9)14)19-8-13(16,17)4-2/h3,5-6H,1,4,7-8H2,2H3
InChIKeyXMEHBDXJRGNFNP-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.95
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-prop-2-enoxybenzene
CID 153282355
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
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene
CID 153282501
methyl 2,3-difluoro-6-prop-2-enoxybenzoate
CID 170553452
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
CID 59875928
CID 59875928
1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
CID 118191513
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 163533849
2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine
CID 143773181
2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-propylpyrimidine
CID 67732794

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene?
The IUPAC name of 1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene (CID 153282338) is 1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene.
What is the SMILES notation for 1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene?
The canonical SMILES for 1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene is C=CCOc1ccc(OCC(F)(F)CC)c(F)c1F.
What is the InChIKey of 1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene?
The InChIKey is XMEHBDXJRGNFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4O2/c1-3-7-18-9-5-6-10(12(15)11(9)14)19-8-13(16,17)4-2/h3,5-6H,1,4,7-8H2,2H3.
What are the key properties of 1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene?
1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene has a molecular weight of 278.25 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene is sourced from PubChem (CID 153282338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).