1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane

C8H13BrF2O — CID 82005986

IUPAC1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane
SMILESFC(F)COC1(CBr)CCCC1
InChIInChI=1S/C8H13BrF2O/c9-6-8(3-1-2-4-8)12-5-7(10)11/h7H,1-6H2
InChIKeyPYNCFJIGPKWBQW-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.98
Rot. Bonds4

About 1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane

1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane (PubChem CID 82005986) has the molecular formula C8H13BrF2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane
PubChem CID82005986
Molecular FormulaC8H13BrF2O
Molecular Weight243.09 g/mol
Exact Mass242.01
IUPAC Name1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane
SMILESFC(F)COC1(CBr)CCCC1
InChIInChI=1S/C8H13BrF2O/c9-6-8(3-1-2-4-8)12-5-7(10)11/h7H,1-6H2
InChIKeyPYNCFJIGPKWBQW-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.98
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 1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane (CID 82005986) is 1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane is FC(F)COC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane?
The InChIKey is PYNCFJIGPKWBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF2O/c9-6-8(3-1-2-4-8)12-5-7(10)11/h7H,1-6H2.
What are the key properties of 1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane?
1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane has a molecular weight of 243.09 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane is sourced from PubChem (CID 82005986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).