1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene

C12H10F4 — CID 15104114

IUPAC1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene
SMILESC=CCc1c(F)c(F)c(CC=C)c(F)c1F
InChIInChI=1S/C12H10F4/c1-3-5-7-9(13)11(15)8(6-4-2)12(16)10(7)14/h3-4H,1-2,5-6H2
InChIKeyHWQYNISNFPHVKM-UHFFFAOYSA-N
MW230.20 g/mol
LogP3.70
Rot. Bonds4

About 1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene

1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene (PubChem CID 15104114) has the molecular formula C12H10F4 and a molecular weight of 230.20 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene
PubChem CID15104114
Molecular FormulaC12H10F4
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Name1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene
SMILESC=CCc1c(F)c(F)c(CC=C)c(F)c1F
InChIInChI=1S/C12H10F4/c1-3-5-7-9(13)11(15)8(6-4-2)12(16)10(7)14/h3-4H,1-2,5-6H2
InChIKeyHWQYNISNFPHVKM-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene (CID 15104114) is 1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene is C=CCc1c(F)c(F)c(CC=C)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene?
The InChIKey is HWQYNISNFPHVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4/c1-3-5-7-9(13)11(15)8(6-4-2)12(16)10(7)14/h3-4H,1-2,5-6H2.
What are the key properties of 1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene?
1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene has a molecular weight of 230.20 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3,6-bis(prop-2-enyl)benzene is sourced from PubChem (CID 15104114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).