1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene

C12H14F4 — CID 122632109

IUPAC1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1c(F)c(C)c(F)c(F)c1F
InChIInChI=1S/C12H14F4/c1-5-12(3,4)7-8(13)6(2)9(14)11(16)10(7)15/h5H2,1-4H3
InChIKeyKEIKQTRXXVMBRO-UHFFFAOYSA-N
MW234.24 g/mol
LogP4.24
Rot. Bonds2

About 1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene

1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene (PubChem CID 122632109) has the molecular formula C12H14F4 and a molecular weight of 234.24 g/mol. Its IUPAC name is 1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene
PubChem CID122632109
Molecular FormulaC12H14F4
Molecular Weight234.24 g/mol
Exact Mass234.10
IUPAC Name1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1c(F)c(C)c(F)c(F)c1F
InChIInChI=1S/C12H14F4/c1-5-12(3,4)7-8(13)6(2)9(14)11(16)10(7)15/h5H2,1-4H3
InChIKeyKEIKQTRXXVMBRO-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 54.24
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene (CID 122632109) is 1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene is CCC(C)(C)c1c(F)c(C)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene?
The InChIKey is KEIKQTRXXVMBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4/c1-5-12(3,4)7-8(13)6(2)9(14)11(16)10(7)15/h5H2,1-4H3.
What are the key properties of 1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene?
1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene has a molecular weight of 234.24 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrafluoro-4-methyl-6-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 122632109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).