2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane

C10H16BrF3O — CID 66345297

IUPAC2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane
SMILESCCC1(CC)C(Br)CC1OCC(F)(F)F
InChIInChI=1S/C10H16BrF3O/c1-3-9(4-2)7(11)5-8(9)15-6-10(12,13)14/h7-8H,3-6H2,1-2H3
InChIKeyIUIHCHCFVJTHLJ-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.91
Rot. Bonds4

About 2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane

2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane (PubChem CID 66345297) has the molecular formula C10H16BrF3O and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane.

Molecular Properties

Compound Name2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane
PubChem CID66345297
Molecular FormulaC10H16BrF3O
Molecular Weight289.14 g/mol
Exact Mass288.03
IUPAC Name2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane
SMILESCCC1(CC)C(Br)CC1OCC(F)(F)F
InChIInChI=1S/C10H16BrF3O/c1-3-9(4-2)7(11)5-8(9)15-6-10(12,13)14/h7-8H,3-6H2,1-2H3
InChIKeyIUIHCHCFVJTHLJ-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.91
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

4-Bromo-5,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexane
CID 61733925
6-Bromo-4,4-dimethyl-1-(2,2,2-trifluoroethoxy)heptane
CID 64717066
4-(Bromomethyl)-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane
CID 66047621
1-(Bromomethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane
CID 66048001
4-(Bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 66048525
1-(Bromomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane
CID 66049312
3-(Bromomethyl)-3-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 66050660
1-(Bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclobutane
CID 66275449
4-(Bromomethyl)-4-(1,1,1-trifluoropropan-2-yloxymethyl)heptane
CID 66275879
1-(Bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane
CID 66276747
3-Bromo-1-(2,2,2-trifluoroethoxy)spiro[3.4]octane
CID 66344874
2-Bromo-1,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclobutane
CID 66345088

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane?
The IUPAC name of 2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane (CID 66345297) is 2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane.
What is the SMILES notation for 2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane?
The canonical SMILES for 2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane is CCC1(CC)C(Br)CC1OCC(F)(F)F.
What is the InChIKey of 2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane?
The InChIKey is IUIHCHCFVJTHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF3O/c1-3-9(4-2)7(11)5-8(9)15-6-10(12,13)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane?
2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane has a molecular weight of 289.14 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-diethyl-4-(2,2,2-trifluoroethoxy)cyclobutane is sourced from PubChem (CID 66345297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).