1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene

C12H11F3 — CID 139403704

IUPAC1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene
SMILESC=Cc1c(F)c(F)c(C)c(F)c1/C=C/C
InChIInChI=1S/C12H11F3/c1-4-6-9-8(5-2)12(15)11(14)7(3)10(9)13/h4-6H,2H2,1,3H3/b6-4+
InChIKeySHMVUIWJCHNEMX-GQCTYLIASA-N
MW212.21 g/mol
LogP4.09
Rot. Bonds2

About 1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene

1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene (PubChem CID 139403704) has the molecular formula C12H11F3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene
PubChem CID139403704
Molecular FormulaC12H11F3
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene
SMILESC=Cc1c(F)c(F)c(C)c(F)c1/C=C/C
InChIInChI=1S/C12H11F3/c1-4-6-9-8(5-2)12(15)11(14)7(3)10(9)13/h4-6H,2H2,1,3H3/b6-4+
InChIKeySHMVUIWJCHNEMX-GQCTYLIASA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene (CID 139403704) is 1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene is C=Cc1c(F)c(F)c(C)c(F)c1/C=C/C.
What is the InChIKey of 1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene?
The InChIKey is SHMVUIWJCHNEMX-GQCTYLIASA-N. The full InChI is InChI=1S/C12H11F3/c1-4-6-9-8(5-2)12(15)11(14)7(3)10(9)13/h4-6H,2H2,1,3H3/b6-4+.
What are the key properties of 1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene?
1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene has a molecular weight of 212.21 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 139403704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).