2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane

C10H16BrF3O — CID 66359301

IUPAC2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane
SMILESCCC1(C)C(Br)CC1OC(C)C(F)(F)F
InChIInChI=1S/C10H16BrF3O/c1-4-9(3)7(11)5-8(9)15-6(2)10(12,13)14/h6-8H,4-5H2,1-3H3
InChIKeyDRIDXAOTFNWDQQ-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.91
Rot. Bonds3

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

2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane (PubChem CID 66359301) has the molecular formula C10H16BrF3O and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane.

Molecular Properties

Compound Name2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane
PubChem CID66359301
Molecular FormulaC10H16BrF3O
Molecular Weight289.13 g/mol
Exact Mass288.03
IUPAC Name2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane
SMILESCCC1(C)C(Br)CC1OC(C)C(F)(F)F
InChIInChI=1S/C10H16BrF3O/c1-4-9(3)7(11)5-8(9)15-6(2)10(12,13)14/h6-8H,4-5H2,1-3H3
InChIKeyDRIDXAOTFNWDQQ-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane?
The IUPAC name of 2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane (CID 66359301) is 2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane.
What is the SMILES notation for 2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane?
The canonical SMILES for 2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane is CCC1(C)C(Br)CC1OC(C)C(F)(F)F.
What is the InChIKey of 2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane?
The InChIKey is DRIDXAOTFNWDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF3O/c1-4-9(3)7(11)5-8(9)15-6(2)10(12,13)14/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane?
2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane has a molecular weight of 289.13 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethyl-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane is sourced from PubChem (CID 66359301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).