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

C16H12F4O2 — CID 118191628

IUPAC1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(-c2ccc(OC)c(F)c2F)c(F)c1F
InChIInChI=1S/C16H12F4O2/c1-3-8-22-12-7-5-10(14(18)16(12)20)9-4-6-11(21-2)15(19)13(9)17/h3-7H,1,8H2,2H3
InChIKeyBUKSFKIYOUWVLR-UHFFFAOYSA-N
MW312.26 g/mol
LogP4.48
Rot. Bonds5

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

1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene (PubChem CID 118191628) has the molecular formula C16H12F4O2 and a molecular weight of 312.26 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
PubChem CID118191628
Molecular FormulaC16H12F4O2
Molecular Weight312.26 g/mol
Exact Mass312.08
IUPAC Name1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(-c2ccc(OC)c(F)c2F)c(F)c1F
InChIInChI=1S/C16H12F4O2/c1-3-8-22-12-7-5-10(14(18)16(12)20)9-4-6-11(21-2)15(19)13(9)17/h3-7H,1,8H2,2H3
InChIKeyBUKSFKIYOUWVLR-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 54.48
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

CID 59875928
CID 59875928
1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
CID 118191513
2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine
CID 143773181
1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
CID 118191516
1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene
CID 153282338
2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene
CID 153282355
2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene
CID 70482555
1-(2,3-difluoro-4-methoxyphenyl)-4-[5-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]-3,3-dimethylpentoxy]-2,3-difluorobenzene
CID 134273678
tris(2,3-difluoro-1-methyl-4-[(Z)-pent-2-enoxy]benzene);2,3-difluoro-1-methyl-4-prop-2-enoxybenzene
CID 157453957
2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-propylpyrimidine
CID 67732794
1-[2-(2,3-difluoro-4-prop-2-enoxyphenyl)ethynyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 141431831
1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 134359475

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene?
The IUPAC name of 1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene (CID 118191628) is 1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene.
What is the SMILES notation for 1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene?
The canonical SMILES for 1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene is C=CCOc1ccc(-c2ccc(OC)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene?
The InChIKey is BUKSFKIYOUWVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4O2/c1-3-8-22-12-7-5-10(14(18)16(12)20)9-4-6-11(21-2)15(19)13(9)17/h3-7H,1,8H2,2H3.
What are the key properties of 1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene?
1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene has a molecular weight of 312.26 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene is sourced from PubChem (CID 118191628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).