2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane

C10H17BrF2O — CID 82009206

IUPAC2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane
SMILESCCC1(CC)C(Br)CC1OCC(F)F
InChIInChI=1S/C10H17BrF2O/c1-3-10(4-2)7(11)5-8(10)14-6-9(12)13/h7-9H,3-6H2,1-2H3
InChIKeySDLATIZEFCCWDF-UHFFFAOYSA-N
MW271.14 g/mol
LogP3.61
Rot. Bonds5

About 2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane

2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane (PubChem CID 82009206) has the molecular formula C10H17BrF2O and a molecular weight of 271.14 g/mol. Its IUPAC name is 2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane.

Molecular Properties

Compound Name2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane
PubChem CID82009206
Molecular FormulaC10H17BrF2O
Molecular Weight271.14 g/mol
Exact Mass270.04
IUPAC Name2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane
SMILESCCC1(CC)C(Br)CC1OCC(F)F
InChIInChI=1S/C10H17BrF2O/c1-3-10(4-2)7(11)5-8(10)14-6-9(12)13/h7-9H,3-6H2,1-2H3
InChIKeySDLATIZEFCCWDF-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 53.61
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-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane?
The IUPAC name of 2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane (CID 82009206) is 2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane.
What is the SMILES notation for 2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane?
The canonical SMILES for 2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane is CCC1(CC)C(Br)CC1OCC(F)F.
What is the InChIKey of 2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane?
The InChIKey is SDLATIZEFCCWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF2O/c1-3-10(4-2)7(11)5-8(10)14-6-9(12)13/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane?
2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane has a molecular weight of 271.14 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane is sourced from PubChem (CID 82009206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).