4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene

C12H12BrF3 — CID 162089622

IUPAC4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene
SMILESCCC1(c2ccc(Br)cc2C(F)(F)F)CC1
InChIInChI=1S/C12H12BrF3/c1-2-11(5-6-11)9-4-3-8(13)7-10(9)12(14,15)16/h3-4,7H,2,5-6H2,1H3
InChIKeyZDKSOVPNOQCTGR-UHFFFAOYSA-N
MW293.13 g/mol
LogP4.91
Rot. Bonds2

About 4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene

4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene (PubChem CID 162089622) has the molecular formula C12H12BrF3 and a molecular weight of 293.13 g/mol. Its IUPAC name is 4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene
PubChem CID162089622
Molecular FormulaC12H12BrF3
Molecular Weight293.13 g/mol
Exact Mass292.01
IUPAC Name4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene
SMILESCCC1(c2ccc(Br)cc2C(F)(F)F)CC1
InChIInChI=1S/C12H12BrF3/c1-2-11(5-6-11)9-4-3-8(13)7-10(9)12(14,15)16/h3-4,7H,2,5-6H2,1H3
InChIKeyZDKSOVPNOQCTGR-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-Bromo-4-(2-methylbutan-2-yl)benzene
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1-Bromo-4-(heptadecafluorooctyl)benzene
CID 4117657
1-Bromo-4-(1H,1H-perfluoro-2,2-dimethylpentyl)benzene
CID 10719829
1-Bromo-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzene
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1-Bromo-4-[1-(trifluoromethyl)cyclopropyl]benzene
CID 50998558
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CID 10344855

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene (CID 162089622) is 4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene is CCC1(c2ccc(Br)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene?
The InChIKey is ZDKSOVPNOQCTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3/c1-2-11(5-6-11)9-4-3-8(13)7-10(9)12(14,15)16/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene?
4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene has a molecular weight of 293.13 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(1-ethylcyclopropyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 162089622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).