1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene

C11H13F3 — CID 76786505

IUPAC1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene
SMILESCC(C)C(C)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H13F3/c1-6(2)7(3)11-9(13)4-8(12)5-10(11)14/h4-7H,1-3H3
InChIKeyUXOQCITUXHPRMC-UHFFFAOYSA-N
MW202.22 g/mol
LogP3.86
Rot. Bonds2

About 1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene

1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene (PubChem CID 76786505) has the molecular formula C11H13F3 and a molecular weight of 202.22 g/mol. Its IUPAC name is 1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene
PubChem CID76786505
Molecular FormulaC11H13F3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene
SMILESCC(C)C(C)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H13F3/c1-6(2)7(3)11-9(13)4-8(12)5-10(11)14/h4-7H,1-3H3
InChIKeyUXOQCITUXHPRMC-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene?
The IUPAC name of 1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene (CID 76786505) is 1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene.
What is the SMILES notation for 1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene?
The canonical SMILES for 1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene is CC(C)C(C)c1c(F)cc(F)cc1F.
What is the InChIKey of 1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene?
The InChIKey is UXOQCITUXHPRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3/c1-6(2)7(3)11-9(13)4-8(12)5-10(11)14/h4-7H,1-3H3.
What are the key properties of 1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene?
1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene has a molecular weight of 202.22 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene is sourced from PubChem (CID 76786505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).