1,2,4,5-tetrafluoro-3-prop-2-enylbenzene

C9H6F4 — CID 12944006

IUPAC1,2,4,5-tetrafluoro-3-prop-2-enylbenzene
SMILESC=CCc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H6F4/c1-2-3-5-8(12)6(10)4-7(11)9(5)13/h2,4H,1,3H2
InChIKeyGPRHTRPPPWZVSG-UHFFFAOYSA-N
MW190.14 g/mol
LogP2.97
Rot. Bonds2

About 1,2,4,5-tetrafluoro-3-prop-2-enylbenzene

1,2,4,5-tetrafluoro-3-prop-2-enylbenzene (PubChem CID 12944006) has the molecular formula C9H6F4 and a molecular weight of 190.14 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-prop-2-enylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-prop-2-enylbenzene
PubChem CID12944006
Molecular FormulaC9H6F4
Molecular Weight190.14 g/mol
Exact Mass190.04
IUPAC Name1,2,4,5-tetrafluoro-3-prop-2-enylbenzene
SMILESC=CCc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H6F4/c1-2-3-5-8(12)6(10)4-7(11)9(5)13/h2,4H,1,3H2
InChIKeyGPRHTRPPPWZVSG-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 52.97
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'}

Analyze 1,2,4,5-tetrafluoro-3-prop-2-enylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-prop-2-enylbenzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-prop-2-enylbenzene (CID 12944006) is 1,2,4,5-tetrafluoro-3-prop-2-enylbenzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-prop-2-enylbenzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-prop-2-enylbenzene is C=CCc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-prop-2-enylbenzene?
The InChIKey is GPRHTRPPPWZVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4/c1-2-3-5-8(12)6(10)4-7(11)9(5)13/h2,4H,1,3H2.
What are the key properties of 1,2,4,5-tetrafluoro-3-prop-2-enylbenzene?
1,2,4,5-tetrafluoro-3-prop-2-enylbenzene has a molecular weight of 190.14 g/mol, XLogP of 2.97, 2 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-prop-2-enylbenzene is sourced from PubChem (CID 12944006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).