2-(2-bromoethoxy)-1,1-difluorocyclopropane

C5H7BrF2O — CID 122163985

IUPAC2-(2-bromoethoxy)-1,1-difluorocyclopropane
SMILESFC1(F)CC1OCCBr
InChIInChI=1S/C5H7BrF2O/c6-1-2-9-4-3-5(4,7)8/h4H,1-3H2
InChIKeyKOGZKWGYNINJSI-UHFFFAOYSA-N
MW201.01 g/mol
LogP1.81
Rot. Bonds3

About 2-(2-bromoethoxy)-1,1-difluorocyclopropane

2-(2-bromoethoxy)-1,1-difluorocyclopropane (PubChem CID 122163985) has the molecular formula C5H7BrF2O and a molecular weight of 201.01 g/mol. Its IUPAC name is 2-(2-bromoethoxy)-1,1-difluorocyclopropane.

Molecular Properties

Compound Name2-(2-bromoethoxy)-1,1-difluorocyclopropane
PubChem CID122163985
Molecular FormulaC5H7BrF2O
Molecular Weight201.01 g/mol
Exact Mass199.96
IUPAC Name2-(2-bromoethoxy)-1,1-difluorocyclopropane
SMILESFC1(F)CC1OCCBr
InChIInChI=1S/C5H7BrF2O/c6-1-2-9-4-3-5(4,7)8/h4H,1-3H2
InChIKeyKOGZKWGYNINJSI-UHFFFAOYSA-N
XLogP1.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.01
LogP ≤ 51.81
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

2-(2-Bromoethoxy)-1,1,1,2,3,3,3-heptafluoropropane
CID 59650117
2-(2-Bromo-1,1,2-trifluoroethoxy)propane
CID 15921667
2-(3-Bromopropoxy)-1,1,1,3,3,3-hexafluoropropane
CID 58901270
2-(2-Bromo-1,1,2-trifluoroethoxy)butane
CID 139683186
2-(Bromomethoxy)-1,1-difluorocyclopropane
CID 156654549
2-(2-Bromoethoxy)-1,1,1-trifluoropropane
CID 66276321
2-(2-Bromoethoxy)-1,1,1,3,3,3-hexafluoropropane
CID 102685235
2-(2-Bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane
CID 102722038
(2S)-2-(2-bromoethoxy)-1,1-difluorocyclopropane
CID 125528605
(2R)-2-(2-bromoethoxy)-1,1-difluorocyclopropane
CID 125528606
(2-Bromo-3-fluoropropoxy)cyclopropane
CID 165961807

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethoxy)-1,1-difluorocyclopropane?
The IUPAC name of 2-(2-bromoethoxy)-1,1-difluorocyclopropane (CID 122163985) is 2-(2-bromoethoxy)-1,1-difluorocyclopropane.
What is the SMILES notation for 2-(2-bromoethoxy)-1,1-difluorocyclopropane?
The canonical SMILES for 2-(2-bromoethoxy)-1,1-difluorocyclopropane is FC1(F)CC1OCCBr.
What is the InChIKey of 2-(2-bromoethoxy)-1,1-difluorocyclopropane?
The InChIKey is KOGZKWGYNINJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrF2O/c6-1-2-9-4-3-5(4,7)8/h4H,1-3H2.
What are the key properties of 2-(2-bromoethoxy)-1,1-difluorocyclopropane?
2-(2-bromoethoxy)-1,1-difluorocyclopropane has a molecular weight of 201.01 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethoxy)-1,1-difluorocyclopropane is sourced from PubChem (CID 122163985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).