2-(bromomethoxy)-1,1-difluorocyclopropane

C4H5BrF2O — CID 156654549

IUPAC2-(bromomethoxy)-1,1-difluorocyclopropane
SMILESFC1(F)CC1OCBr
InChIInChI=1S/C4H5BrF2O/c5-2-8-3-1-4(3,6)7/h3H,1-2H2
InChIKeyCITAXCYXNRNAJR-UHFFFAOYSA-N
MW186.98 g/mol
LogP1.76
Rot. Bonds2

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

2-(bromomethoxy)-1,1-difluorocyclopropane (PubChem CID 156654549) has the molecular formula C4H5BrF2O and a molecular weight of 186.98 g/mol. Its IUPAC name is 2-(bromomethoxy)-1,1-difluorocyclopropane.

Molecular Properties

Compound Name2-(bromomethoxy)-1,1-difluorocyclopropane
PubChem CID156654549
Molecular FormulaC4H5BrF2O
Molecular Weight186.98 g/mol
Exact Mass185.95
IUPAC Name2-(bromomethoxy)-1,1-difluorocyclopropane
SMILESFC1(F)CC1OCBr
InChIInChI=1S/C4H5BrF2O/c5-2-8-3-1-4(3,6)7/h3H,1-2H2
InChIKeyCITAXCYXNRNAJR-UHFFFAOYSA-N
XLogP1.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.98
LogP ≤ 51.76
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-(bromomethoxy)-1,1-difluorocyclopropane?
The IUPAC name of 2-(bromomethoxy)-1,1-difluorocyclopropane (CID 156654549) is 2-(bromomethoxy)-1,1-difluorocyclopropane.
What is the SMILES notation for 2-(bromomethoxy)-1,1-difluorocyclopropane?
The canonical SMILES for 2-(bromomethoxy)-1,1-difluorocyclopropane is FC1(F)CC1OCBr.
What is the InChIKey of 2-(bromomethoxy)-1,1-difluorocyclopropane?
The InChIKey is CITAXCYXNRNAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrF2O/c5-2-8-3-1-4(3,6)7/h3H,1-2H2.
What are the key properties of 2-(bromomethoxy)-1,1-difluorocyclopropane?
2-(bromomethoxy)-1,1-difluorocyclopropane has a molecular weight of 186.98 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethoxy)-1,1-difluorocyclopropane is sourced from PubChem (CID 156654549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).