1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane

C10H16BrF3O — CID 82792374

IUPAC1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane
SMILESFC(F)(F)CCCOC1(CBr)CCCC1
InChIInChI=1S/C10H16BrF3O/c11-8-9(4-1-2-5-9)15-7-3-6-10(12,13)14/h1-8H2
InChIKeyZSYUSAIJXQENLP-UHFFFAOYSA-N
MW289.13 g/mol
LogP4.05
Rot. Bonds5

About 1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane

1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane (PubChem CID 82792374) has the molecular formula C10H16BrF3O and a molecular weight of 289.13 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane
PubChem CID82792374
Molecular FormulaC10H16BrF3O
Molecular Weight289.13 g/mol
Exact Mass288.03
IUPAC Name1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane
SMILESFC(F)(F)CCCOC1(CBr)CCCC1
InChIInChI=1S/C10H16BrF3O/c11-8-9(4-1-2-5-9)15-7-3-6-10(12,13)14/h1-8H2
InChIKeyZSYUSAIJXQENLP-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane (CID 82792374) is 1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane is FC(F)(F)CCCOC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane?
The InChIKey is ZSYUSAIJXQENLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF3O/c11-8-9(4-1-2-5-9)15-7-3-6-10(12,13)14/h1-8H2.
What are the key properties of 1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane?
1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane has a molecular weight of 289.13 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(4,4,4-trifluorobutoxy)cyclopentane is sourced from PubChem (CID 82792374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).