1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane

C10H16BrF3O — CID 66276747

IUPAC1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane
SMILESCC(OCC1(CBr)CCCC1)C(F)(F)F
InChIInChI=1S/C10H16BrF3O/c1-8(10(12,13)14)15-7-9(6-11)4-2-3-5-9/h8H,2-7H2,1H3
InChIKeyLRANNEWVSQFLJI-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.91
Rot. Bonds4

About 1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane

1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane (PubChem CID 66276747) has the molecular formula C10H16BrF3O and a molecular weight of 289.13 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane
PubChem CID66276747
Molecular FormulaC10H16BrF3O
Molecular Weight289.13 g/mol
Exact Mass288.03
IUPAC Name1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane
SMILESCC(OCC1(CBr)CCCC1)C(F)(F)F
InChIInChI=1S/C10H16BrF3O/c1-8(10(12,13)14)15-7-9(6-11)4-2-3-5-9/h8H,2-7H2,1H3
InChIKeyLRANNEWVSQFLJI-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)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-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane (CID 66276747) is 1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane is CC(OCC1(CBr)CCCC1)C(F)(F)F.
What is the InChIKey of 1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane?
The InChIKey is LRANNEWVSQFLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF3O/c1-8(10(12,13)14)15-7-9(6-11)4-2-3-5-9/h8H,2-7H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane?
1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane has a molecular weight of 289.13 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane is sourced from PubChem (CID 66276747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).