1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene

C11H10BrF3 — CID 81358226

IUPAC1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C2CC2CBr)cc1
InChIInChI=1S/C11H10BrF3/c12-6-8-5-10(8)7-1-3-9(4-2-7)11(13,14)15/h1-4,8,10H,5-6H2
InChIKeyUANKLCYPBRXSHG-UHFFFAOYSA-N
MW279.10 g/mol
LogP4.20
Rot. Bonds2

About 1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene

1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene (PubChem CID 81358226) has the molecular formula C11H10BrF3 and a molecular weight of 279.10 g/mol. Its IUPAC name is 1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene
PubChem CID81358226
Molecular FormulaC11H10BrF3
Molecular Weight279.10 g/mol
Exact Mass277.99
IUPAC Name1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C2CC2CBr)cc1
InChIInChI=1S/C11H10BrF3/c12-6-8-5-10(8)7-1-3-9(4-2-7)11(13,14)15/h1-4,8,10H,5-6H2
InChIKeyUANKLCYPBRXSHG-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene (CID 81358226) is 1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(C2CC2CBr)cc1.
What is the InChIKey of 1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene?
The InChIKey is UANKLCYPBRXSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3/c12-6-8-5-10(8)7-1-3-9(4-2-7)11(13,14)15/h1-4,8,10H,5-6H2.
What are the key properties of 1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene?
1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene has a molecular weight of 279.10 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 81358226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).