5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane

C7H10BrF3O — CID 130582463

IUPAC5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane
SMILESCC1(C(F)(F)F)CCC(CBr)O1
InChIInChI=1S/C7H10BrF3O/c1-6(7(9,10)11)3-2-5(4-8)12-6/h5H,2-4H2,1H3
InChIKeyQMQIMPZXUBHKHX-UHFFFAOYSA-N
MW247.05 g/mol
LogP2.88
Rot. Bonds1

About 5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane

5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane (PubChem CID 130582463) has the molecular formula C7H10BrF3O and a molecular weight of 247.05 g/mol. Its IUPAC name is 5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane
PubChem CID130582463
Molecular FormulaC7H10BrF3O
Molecular Weight247.05 g/mol
Exact Mass245.99
IUPAC Name5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane
SMILESCC1(C(F)(F)F)CCC(CBr)O1
InChIInChI=1S/C7H10BrF3O/c1-6(7(9,10)11)3-2-5(4-8)12-6/h5H,2-4H2,1H3
InChIKeyQMQIMPZXUBHKHX-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 52.88
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

5-(Bromomethyl)-2,2-dimethyloxolane
CID 67034646
2-(Bromomethyl)-4-(trifluoromethyl)oxolane
CID 131409548
2-Bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 20612596
(2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 58049085
(4S,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 58049090
(4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 58302150
(3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 58521211
(2S,3S,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 60062257
(2R,3R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 68198843
(2R,4R,5R)-2-bromo-5-ethyl-3,3-difluoro-4-methyloxolane
CID 89944005
(3R)-2-bromo-5-ethyl-3-fluoro-3-methyloxolane
CID 117660291
(2S,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 117669217

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane?
The IUPAC name of 5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane (CID 130582463) is 5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane.
What is the SMILES notation for 5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane?
The canonical SMILES for 5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane is CC1(C(F)(F)F)CCC(CBr)O1.
What is the InChIKey of 5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane?
The InChIKey is QMQIMPZXUBHKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrF3O/c1-6(7(9,10)11)3-2-5(4-8)12-6/h5H,2-4H2,1H3.
What are the key properties of 5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane?
5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane has a molecular weight of 247.05 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-methyl-2-(trifluoromethyl)oxolane is sourced from PubChem (CID 130582463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).