1,2,4,5-tetrafluoro-3-methyl-6-prop-2-enylbenzene

C10H8F4 — CID 23044323

IUPAC1,2,4,5-tetrafluoro-3-methyl-6-prop-2-enylbenzene
SMILESC=CCc1c(F)c(F)c(C)c(F)c1F
InChIInChI=1S/C10H8F4/c1-3-4-6-9(13)7(11)5(2)8(12)10(6)14/h3H,1,4H2,2H3
InChIKeyCDSZUVFLUNLNML-UHFFFAOYSA-N
MW204.17 g/mol
LogP3.28
Rot. Bonds2

About 1,2,4,5-tetrafluoro-3-methyl-6-prop-2-enylbenzene

1,2,4,5-tetrafluoro-3-methyl-6-prop-2-enylbenzene (PubChem CID 23044323) has the molecular formula C10H8F4 and a molecular weight of 204.17 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-methyl-6-prop-2-enylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-methyl-6-prop-2-enylbenzene
PubChem CID23044323
Molecular FormulaC10H8F4
Molecular Weight204.17 g/mol
Exact Mass204.06
IUPAC Name1,2,4,5-tetrafluoro-3-methyl-6-prop-2-enylbenzene
SMILESC=CCc1c(F)c(F)c(C)c(F)c1F
InChIInChI=1S/C10H8F4/c1-3-4-6-9(13)7(11)5(2)8(12)10(6)14/h3H,1,4H2,2H3
InChIKeyCDSZUVFLUNLNML-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 53.28
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-methyl-6-prop-2-enylbenzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-methyl-6-prop-2-enylbenzene (CID 23044323) is 1,2,4,5-tetrafluoro-3-methyl-6-prop-2-enylbenzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-methyl-6-prop-2-enylbenzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-methyl-6-prop-2-enylbenzene is C=CCc1c(F)c(F)c(C)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-methyl-6-prop-2-enylbenzene?
The InChIKey is CDSZUVFLUNLNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4/c1-3-4-6-9(13)7(11)5(2)8(12)10(6)14/h3H,1,4H2,2H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-methyl-6-prop-2-enylbenzene?
1,2,4,5-tetrafluoro-3-methyl-6-prop-2-enylbenzene has a molecular weight of 204.17 g/mol, XLogP of 3.28, 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-methyl-6-prop-2-enylbenzene is sourced from PubChem (CID 23044323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).