2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane

C8H12BrF3O — CID 126983650

IUPAC2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane
SMILESCC1(CBr)CCC(C)(C(F)(F)F)O1
InChIInChI=1S/C8H12BrF3O/c1-6(5-9)3-4-7(2,13-6)8(10,11)12/h3-5H2,1-2H3
InChIKeyKSRZUDIAMUJCKP-UHFFFAOYSA-N
MW261.08 g/mol
LogP3.27
Rot. Bonds1

About 2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane

2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane (PubChem CID 126983650) has the molecular formula C8H12BrF3O and a molecular weight of 261.08 g/mol. Its IUPAC name is 2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane
PubChem CID126983650
Molecular FormulaC8H12BrF3O
Molecular Weight261.08 g/mol
Exact Mass260.00
IUPAC Name2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane
SMILESCC1(CBr)CCC(C)(C(F)(F)F)O1
InChIInChI=1S/C8H12BrF3O/c1-6(5-9)3-4-7(2,13-6)8(10,11)12/h3-5H2,1-2H3
InChIKeyKSRZUDIAMUJCKP-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Bromomethyl)-2,5,5-trimethyloxolane
CID 130583089
1-(Bromomethyl)-1-[(1,1,1-trifluoropropan-2-yl)oxy]cyclopentane
CID 66277023
3,3-Difluoro-2,2,5,5-tetramethyloxolane
CID 124364401
5-(Bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane
CID 130582463
5-(Bromomethyl)-2-(difluoromethyl)-2-methyloxolane
CID 164661558
2-(Bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane
CID 164661560
2-(Bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane
CID 165445842
2-(Bromomethyl)-2-(2,2-difluoropropyl)oxolane
CID 165446154
1-(Bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane
CID 165493036
3-Bromo-2,2,5,5-tetramethyloxolane
CID 79928657

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane?
The IUPAC name of 2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane (CID 126983650) is 2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane.
What is the SMILES notation for 2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane?
The canonical SMILES for 2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane is CC1(CBr)CCC(C)(C(F)(F)F)O1.
What is the InChIKey of 2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane?
The InChIKey is KSRZUDIAMUJCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrF3O/c1-6(5-9)3-4-7(2,13-6)8(10,11)12/h3-5H2,1-2H3.
What are the key properties of 2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane?
2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane has a molecular weight of 261.08 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane is sourced from PubChem (CID 126983650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).