2-(bromomethyl)-2-(trifluoromethyl)-3H-furan

C6H6BrF3O — CID 66642858

IUPAC2-(bromomethyl)-2-(trifluoromethyl)-3H-furan
SMILESFC(F)(F)C1(CBr)CC=CO1
InChIInChI=1S/C6H6BrF3O/c7-4-5(6(8,9)10)2-1-3-11-5/h1,3H,2,4H2
InChIKeyCYZQMHUQALRMEN-UHFFFAOYSA-N
MW231.01 g/mol
LogP2.62
Rot. Bonds1

About 2-(bromomethyl)-2-(trifluoromethyl)-3H-furan

2-(bromomethyl)-2-(trifluoromethyl)-3H-furan (PubChem CID 66642858) has the molecular formula C6H6BrF3O and a molecular weight of 231.01 g/mol. Its IUPAC name is 2-(bromomethyl)-2-(trifluoromethyl)-3H-furan.

Molecular Properties

Compound Name2-(bromomethyl)-2-(trifluoromethyl)-3H-furan
PubChem CID66642858
Molecular FormulaC6H6BrF3O
Molecular Weight231.01 g/mol
Exact Mass229.96
IUPAC Name2-(bromomethyl)-2-(trifluoromethyl)-3H-furan
SMILESFC(F)(F)C1(CBr)CC=CO1
InChIInChI=1S/C6H6BrF3O/c7-4-5(6(8,9)10)2-1-3-11-5/h1,3H,2,4H2
InChIKeyCYZQMHUQALRMEN-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.01
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-2-(trifluoromethyl)-3H-furan?
The IUPAC name of 2-(bromomethyl)-2-(trifluoromethyl)-3H-furan (CID 66642858) is 2-(bromomethyl)-2-(trifluoromethyl)-3H-furan.
What is the SMILES notation for 2-(bromomethyl)-2-(trifluoromethyl)-3H-furan?
The canonical SMILES for 2-(bromomethyl)-2-(trifluoromethyl)-3H-furan is FC(F)(F)C1(CBr)CC=CO1.
What is the InChIKey of 2-(bromomethyl)-2-(trifluoromethyl)-3H-furan?
The InChIKey is CYZQMHUQALRMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF3O/c7-4-5(6(8,9)10)2-1-3-11-5/h1,3H,2,4H2.
What are the key properties of 2-(bromomethyl)-2-(trifluoromethyl)-3H-furan?
2-(bromomethyl)-2-(trifluoromethyl)-3H-furan has a molecular weight of 231.01 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-(trifluoromethyl)-3H-furan is sourced from PubChem (CID 66642858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).