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

C9H14BrF3O — CID 65001753

IUPAC1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane
SMILESFC(F)(F)COCC1(CBr)CCCC1
InChIInChI=1S/C9H14BrF3O/c10-5-8(3-1-2-4-8)6-14-7-9(11,12)13/h1-7H2
InChIKeyYOSWAODFDQFOPN-UHFFFAOYSA-N
MW275.11 g/mol
LogP3.52
Rot. Bonds4

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

1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane (PubChem CID 65001753) has the molecular formula C9H14BrF3O and a molecular weight of 275.11 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane
PubChem CID65001753
Molecular FormulaC9H14BrF3O
Molecular Weight275.11 g/mol
Exact Mass274.02
IUPAC Name1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane
SMILESFC(F)(F)COCC1(CBr)CCCC1
InChIInChI=1S/C9H14BrF3O/c10-5-8(3-1-2-4-8)6-14-7-9(11,12)13/h1-7H2
InChIKeyYOSWAODFDQFOPN-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 53.52
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-trifluoroethoxymethyl)cyclopentane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane (CID 65001753) is 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane is FC(F)(F)COCC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane?
The InChIKey is YOSWAODFDQFOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrF3O/c10-5-8(3-1-2-4-8)6-14-7-9(11,12)13/h1-7H2.
What are the key properties of 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane?
1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane has a molecular weight of 275.11 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane is sourced from PubChem (CID 65001753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).