[1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane

C11H18BrF3O — CID 64506316

IUPAC[1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane
SMILESFC(F)(F)COCCCCCC(Br)C1CC1
InChIInChI=1S/C11H18BrF3O/c12-10(9-5-6-9)4-2-1-3-7-16-8-11(13,14)15/h9-10H,1-8H2
InChIKeyWAIYITRQIQTCSI-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.30
Rot. Bonds8

About [1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane

[1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane (PubChem CID 64506316) has the molecular formula C11H18BrF3O and a molecular weight of 303.16 g/mol. Its IUPAC name is [1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane.

Molecular Properties

Compound Name[1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane
PubChem CID64506316
Molecular FormulaC11H18BrF3O
Molecular Weight303.16 g/mol
Exact Mass302.05
IUPAC Name[1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane
SMILESFC(F)(F)COCCCCCC(Br)C1CC1
InChIInChI=1S/C11H18BrF3O/c12-10(9-5-6-9)4-2-1-3-7-16-8-11(13,14)15/h9-10H,1-8H2
InChIKeyWAIYITRQIQTCSI-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.30
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-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane?
The IUPAC name of [1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane (CID 64506316) is [1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane.
What is the SMILES notation for [1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane?
The canonical SMILES for [1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane is FC(F)(F)COCCCCCC(Br)C1CC1.
What is the InChIKey of [1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane?
The InChIKey is WAIYITRQIQTCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrF3O/c12-10(9-5-6-9)4-2-1-3-7-16-8-11(13,14)15/h9-10H,1-8H2.
What are the key properties of [1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane?
[1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane has a molecular weight of 303.16 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-bromo-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane is sourced from PubChem (CID 64506316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).