1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene

C10H10BrF3 — CID 70832812

IUPAC1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene
SMILESCCc1ccc(Br)c(CC(F)(F)F)c1
InChIInChI=1S/C10H10BrF3/c1-2-7-3-4-9(11)8(5-7)6-10(12,13)14/h3-5H,2,6H2,1H3
InChIKeyYQFXDTDYXNBOAG-UHFFFAOYSA-N
MW267.09 g/mol
LogP4.12
Rot. Bonds2

About 1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene

1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene (PubChem CID 70832812) has the molecular formula C10H10BrF3 and a molecular weight of 267.09 g/mol. Its IUPAC name is 1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene
PubChem CID70832812
Molecular FormulaC10H10BrF3
Molecular Weight267.09 g/mol
Exact Mass265.99
IUPAC Name1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene
SMILESCCc1ccc(Br)c(CC(F)(F)F)c1
InChIInChI=1S/C10H10BrF3/c1-2-7-3-4-9(11)8(5-7)6-10(12,13)14/h3-5H,2,6H2,1H3
InChIKeyYQFXDTDYXNBOAG-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene (CID 70832812) is 1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene is CCc1ccc(Br)c(CC(F)(F)F)c1.
What is the InChIKey of 1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene?
The InChIKey is YQFXDTDYXNBOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3/c1-2-7-3-4-9(11)8(5-7)6-10(12,13)14/h3-5H,2,6H2,1H3.
What are the key properties of 1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene?
1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene has a molecular weight of 267.09 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 70832812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).