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

C10H16BrF3O — CID 106706600

IUPAC[1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane
SMILESFC(F)(F)COCC(CBr)C1CCCC1
InChIInChI=1S/C10H16BrF3O/c11-5-9(8-3-1-2-4-8)6-15-7-10(12,13)14/h8-9H,1-7H2
InChIKeyMESVWOZNYGMNGA-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.77
Rot. Bonds5

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

[1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane (PubChem CID 106706600) has the molecular formula C10H16BrF3O and a molecular weight of 289.14 g/mol. Its IUPAC name is [1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane.

Molecular Properties

Compound Name[1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane
PubChem CID106706600
Molecular FormulaC10H16BrF3O
Molecular Weight289.14 g/mol
Exact Mass288.03
IUPAC Name[1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane
SMILESFC(F)(F)COCC(CBr)C1CCCC1
InChIInChI=1S/C10H16BrF3O/c11-5-9(8-3-1-2-4-8)6-15-7-10(12,13)14/h8-9H,1-7H2
InChIKeyMESVWOZNYGMNGA-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane?
The IUPAC name of [1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane (CID 106706600) is [1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane.
What is the SMILES notation for [1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane?
The canonical SMILES for [1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane is FC(F)(F)COCC(CBr)C1CCCC1.
What is the InChIKey of [1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane?
The InChIKey is MESVWOZNYGMNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF3O/c11-5-9(8-3-1-2-4-8)6-15-7-10(12,13)14/h8-9H,1-7H2.
What are the key properties of [1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane?
[1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane has a molecular weight of 289.14 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane is sourced from PubChem (CID 106706600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).