1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene

C13H11F5 — CID 167046580

IUPAC1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene
SMILESC=C(C)C(=C)CCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H11F5/c1-6(2)7(3)4-5-8-9(14)11(16)13(18)12(17)10(8)15/h1,3-5H2,2H3
InChIKeyIRTYLJVQFUCKOC-UHFFFAOYSA-N
MW262.22 g/mol
LogP4.45
Rot. Bonds4

About 1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene

1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene (PubChem CID 167046580) has the molecular formula C13H11F5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene
PubChem CID167046580
Molecular FormulaC13H11F5
Molecular Weight262.22 g/mol
Exact Mass262.08
IUPAC Name1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene
SMILESC=C(C)C(=C)CCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H11F5/c1-6(2)7(3)4-5-8-9(14)11(16)13(18)12(17)10(8)15/h1,3-5H2,2H3
InChIKeyIRTYLJVQFUCKOC-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)propan-1-one
CID 162409528
N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 101404764
1,2,3,4,5-pentafluoro-6-(methylperoxymethyl)benzene
CID 58861663
1,2,3,4,5-pentafluoro-6-(3-methylbut-2-enyl)benzene
CID 11253334
3-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]propanoic acid
CID 151028197
S-[2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]ethyl] ethanethioate
CID 46850644
(2,3,5,6-tetrafluoro-4-propylphenyl)phosphane
CID 166866100
1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone
CID 165347604
argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
CID 158257031
(6R)-2,6,7-trimethyl-3-methylideneoct-1-ene
CID 162769064
CID 18188372
CID 18188372
[2-oxo-2-[(2,3,4,5-tetrafluoro-6-methylphenyl)methoxy]ethyl] 2-methylprop-2-enoate
CID 163645138

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene (CID 167046580) is 1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene is C=C(C)C(=C)CCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene?
The InChIKey is IRTYLJVQFUCKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F5/c1-6(2)7(3)4-5-8-9(14)11(16)13(18)12(17)10(8)15/h1,3-5H2,2H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene?
1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene has a molecular weight of 262.22 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(4-methyl-3-methylidenepent-4-enyl)benzene is sourced from PubChem (CID 167046580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).