2-bromo-1,1-diethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane

C11H18BrF3O — CID 66359098

IUPAC2-bromo-1,1-diethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane
SMILESCCC1(CC)C(Br)CC1OC(C)C(F)(F)F
InChIInChI=1S/C11H18BrF3O/c1-4-10(5-2)8(12)6-9(10)16-7(3)11(13,14)15/h7-9H,4-6H2,1-3H3
InChIKeyLFAOJBNPBVDGOA-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.30
Rot. Bonds4

About 2-bromo-1,1-diethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane

2-bromo-1,1-diethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane (PubChem CID 66359098) has the molecular formula C11H18BrF3O and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-bromo-1,1-diethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane.

Molecular Properties

Compound Name2-bromo-1,1-diethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane
PubChem CID66359098
Molecular FormulaC11H18BrF3O
Molecular Weight303.16 g/mol
Exact Mass302.05
IUPAC Name2-bromo-1,1-diethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane
SMILESCCC1(CC)C(Br)CC1OC(C)C(F)(F)F
InChIInChI=1S/C11H18BrF3O/c1-4-10(5-2)8(12)6-9(10)16-7(3)11(13,14)15/h7-9H,4-6H2,1-3H3
InChIKeyLFAOJBNPBVDGOA-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.30
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-(1,1,1-trifluoropropan-2-yloxy)cyclobutane?
The IUPAC name of 2-bromo-1,1-diethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane (CID 66359098) is 2-bromo-1,1-diethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane.
What is the SMILES notation for 2-bromo-1,1-diethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane?
The canonical SMILES for 2-bromo-1,1-diethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane is CCC1(CC)C(Br)CC1OC(C)C(F)(F)F.
What is the InChIKey of 2-bromo-1,1-diethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane?
The InChIKey is LFAOJBNPBVDGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrF3O/c1-4-10(5-2)8(12)6-9(10)16-7(3)11(13,14)15/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-bromo-1,1-diethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane?
2-bromo-1,1-diethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane has a molecular weight of 303.16 g/mol, XLogP of 4.30, 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-(1,1,1-trifluoropropan-2-yloxy)cyclobutane is sourced from PubChem (CID 66359098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).