1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene

C12H11F3 — CID 159168162

IUPAC1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(C2=CCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H11F3/c1-8-5-6-10(9-3-2-4-9)11(7-8)12(13,14)15/h3,5-7H,2,4H2,1H3
InChIKeyKLILGMWEQQIYNL-UHFFFAOYSA-N
MW212.21 g/mol
LogP4.19
Rot. Bonds1

About 1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene

1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene (PubChem CID 159168162) has the molecular formula C12H11F3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene
PubChem CID159168162
Molecular FormulaC12H11F3
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(C2=CCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H11F3/c1-8-5-6-10(9-3-2-4-9)11(7-8)12(13,14)15/h3,5-7H,2,4H2,1H3
InChIKeyKLILGMWEQQIYNL-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene (CID 159168162) is 1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene is Cc1ccc(C2=CCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene?
The InChIKey is KLILGMWEQQIYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3/c1-8-5-6-10(9-3-2-4-9)11(7-8)12(13,14)15/h3,5-7H,2,4H2,1H3.
What are the key properties of 1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene?
1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene has a molecular weight of 212.21 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 159168162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).