2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene

C11H10BrF3 — CID 118117521

IUPAC2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene
SMILESFc1ccc(C2(C(F)F)CC2)c(CBr)c1
InChIInChI=1S/C11H10BrF3/c12-6-7-5-8(13)1-2-9(7)11(3-4-11)10(14)15/h1-2,5,10H,3-4,6H2
InChIKeyUSUWKZIRZLSASU-UHFFFAOYSA-N
MW279.10 g/mol
LogP4.02
Rot. Bonds3

About 2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene

2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene (PubChem CID 118117521) has the molecular formula C11H10BrF3 and a molecular weight of 279.10 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene
PubChem CID118117521
Molecular FormulaC11H10BrF3
Molecular Weight279.10 g/mol
Exact Mass277.99
IUPAC Name2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene
SMILESFc1ccc(C2(C(F)F)CC2)c(CBr)c1
InChIInChI=1S/C11H10BrF3/c12-6-7-5-8(13)1-2-9(7)11(3-4-11)10(14)15/h1-2,5,10H,3-4,6H2
InChIKeyUSUWKZIRZLSASU-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 54.02
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 2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene?
The IUPAC name of 2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene (CID 118117521) is 2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene.
What is the SMILES notation for 2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene?
The canonical SMILES for 2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene is Fc1ccc(C2(C(F)F)CC2)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene?
The InChIKey is USUWKZIRZLSASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3/c12-6-7-5-8(13)1-2-9(7)11(3-4-11)10(14)15/h1-2,5,10H,3-4,6H2.
What are the key properties of 2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene?
2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene has a molecular weight of 279.10 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[1-(difluoromethyl)cyclopropyl]-4-fluorobenzene is sourced from PubChem (CID 118117521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).