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

C8H12BrF3O — CID 62107272

IUPAC1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane
SMILESFC(F)(F)COC1(CBr)CCCC1
InChIInChI=1S/C8H12BrF3O/c9-5-7(3-1-2-4-7)13-6-8(10,11)12/h1-6H2
InChIKeyFZNVDHIRXBLJBP-UHFFFAOYSA-N
MW261.08 g/mol
LogP3.27
Rot. Bonds3

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

1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane (PubChem CID 62107272) has the molecular formula C8H12BrF3O and a molecular weight of 261.08 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane
PubChem CID62107272
Molecular FormulaC8H12BrF3O
Molecular Weight261.08 g/mol
Exact Mass260.00
IUPAC Name1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane
SMILESFC(F)(F)COC1(CBr)CCCC1
InChIInChI=1S/C8H12BrF3O/c9-5-7(3-1-2-4-7)13-6-8(10,11)12/h1-6H2
InChIKeyFZNVDHIRXBLJBP-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane
CID 62107096
1-(Bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane
CID 65001753
1-(Bromomethyl)-1-[(1,1,1-trifluoropropan-2-yl)oxy]cyclopentane
CID 66277023
(2-Bromo-3,3,3-trifluoropropoxy)methylcyclopentane
CID 66324321
1-(Bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane
CID 82004252
1-(Bromomethyl)-1-(2,2-difluoroethoxy)cyclopentane
CID 82005986
1-(Bromomethyl)-1-(2,2-difluoroethoxy)cyclohexane
CID 82006849
1-(Bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane
CID 82787746
1-(Bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane
CID 82792374
1-(Bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopentane
CID 82954281
1-(Bromomethyl)-1-(3,3,3-trifluoropropoxy)cyclopentane
CID 82957803
1-(Bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane
CID 102722035

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane (CID 62107272) is 1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane is FC(F)(F)COC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane?
The InChIKey is FZNVDHIRXBLJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrF3O/c9-5-7(3-1-2-4-7)13-6-8(10,11)12/h1-6H2.
What are the key properties of 1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane?
1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane has a molecular weight of 261.08 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane is sourced from PubChem (CID 62107272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).