1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene

C14H12F6O2 — CID 139254758

IUPAC1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene
SMILESCOc1cc(/C=C\C(F)(F)F)c(OC)cc1/C=C\C(F)(F)F
InChIInChI=1S/C14H12F6O2/c1-21-11-7-10(4-6-14(18,19)20)12(22-2)8-9(11)3-5-13(15,16)17/h3-8H,1-2H3/b5-3-,6-4-
InChIKeyGSOVIZIBTXIEOS-GLIMQPGKSA-N
MW326.24 g/mol
LogP4.85
Rot. Bonds4

About 1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene

1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene (PubChem CID 139254758) has the molecular formula C14H12F6O2 and a molecular weight of 326.24 g/mol. Its IUPAC name is 1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene
PubChem CID139254758
Molecular FormulaC14H12F6O2
Molecular Weight326.24 g/mol
Exact Mass326.07
IUPAC Name1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene
SMILESCOc1cc(/C=C\C(F)(F)F)c(OC)cc1/C=C\C(F)(F)F
InChIInChI=1S/C14H12F6O2/c1-21-11-7-10(4-6-14(18,19)20)12(22-2)8-9(11)3-5-13(15,16)17/h3-8H,1-2H3/b5-3-,6-4-
InChIKeyGSOVIZIBTXIEOS-GLIMQPGKSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene?
The IUPAC name of 1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene (CID 139254758) is 1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene.
What is the SMILES notation for 1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene?
The canonical SMILES for 1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene is COc1cc(/C=C\C(F)(F)F)c(OC)cc1/C=C\C(F)(F)F.
What is the InChIKey of 1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene?
The InChIKey is GSOVIZIBTXIEOS-GLIMQPGKSA-N. The full InChI is InChI=1S/C14H12F6O2/c1-21-11-7-10(4-6-14(18,19)20)12(22-2)8-9(11)3-5-13(15,16)17/h3-8H,1-2H3/b5-3-,6-4-.
What are the key properties of 1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene?
1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene has a molecular weight of 326.24 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene is sourced from PubChem (CID 139254758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).