1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane

C10H16BrF3O — CID 64507143

IUPAC1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
SMILESFC(F)(F)COCCCC1CCC(Br)C1
InChIInChI=1S/C10H16BrF3O/c11-9-4-3-8(6-9)2-1-5-15-7-10(12,13)14/h8-9H,1-7H2
InChIKeyQEPXRWQSVBLADT-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.91
Rot. Bonds5

About 1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane

1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane (PubChem CID 64507143) has the molecular formula C10H16BrF3O and a molecular weight of 289.14 g/mol. Its IUPAC name is 1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane.

Molecular Properties

Compound Name1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
PubChem CID64507143
Molecular FormulaC10H16BrF3O
Molecular Weight289.14 g/mol
Exact Mass288.03
IUPAC Name1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
SMILESFC(F)(F)COCCCC1CCC(Br)C1
InChIInChI=1S/C10H16BrF3O/c11-9-4-3-8(6-9)2-1-5-15-7-10(12,13)14/h8-9H,1-7H2
InChIKeyQEPXRWQSVBLADT-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.91
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-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane?
The IUPAC name of 1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane (CID 64507143) is 1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane.
What is the SMILES notation for 1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane?
The canonical SMILES for 1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane is FC(F)(F)COCCCC1CCC(Br)C1.
What is the InChIKey of 1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane?
The InChIKey is QEPXRWQSVBLADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF3O/c11-9-4-3-8(6-9)2-1-5-15-7-10(12,13)14/h8-9H,1-7H2.
What are the key properties of 1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane?
1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane has a molecular weight of 289.14 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane is sourced from PubChem (CID 64507143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).