4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene

C14H19F3 — CID 90892155

IUPAC4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCCC(C)c1ccc(C(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3/c1-5-10(4)11-6-7-12(9(2)3)13(8-11)14(15,16)17/h6-10H,5H2,1-4H3
InChIKeyORQLSKASCNUKQI-UHFFFAOYSA-N
MW244.30 g/mol
LogP5.34
Rot. Bonds3

About 4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene

4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 90892155) has the molecular formula C14H19F3 and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID90892155
Molecular FormulaC14H19F3
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCCC(C)c1ccc(C(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3/c1-5-10(4)11-6-7-12(9(2)3)13(8-11)14(15,16)17/h6-10H,5H2,1-4H3
InChIKeyORQLSKASCNUKQI-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.30
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene (CID 90892155) is 4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene is CCC(C)c1ccc(C(C)C)c(C(F)(F)F)c1.
What is the InChIKey of 4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is ORQLSKASCNUKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3/c1-5-10(4)11-6-7-12(9(2)3)13(8-11)14(15,16)17/h6-10H,5H2,1-4H3.
What are the key properties of 4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene?
4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 244.30 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 90892155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).