1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine

C10H17BrF3NO — CID 64758749

IUPAC1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine
SMILESCCOC1CCCN(CC(Br)C(F)(F)F)C1
InChIInChI=1S/C10H17BrF3NO/c1-2-16-8-4-3-5-15(6-8)7-9(11)10(12,13)14/h8-9H,2-7H2,1H3
InChIKeyGOYRGINORVSFIV-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.81
Rot. Bonds4

About 1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine

1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine (PubChem CID 64758749) has the molecular formula C10H17BrF3NO and a molecular weight of 304.15 g/mol. Its IUPAC name is 1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine.

Molecular Properties

Compound Name1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine
PubChem CID64758749
Molecular FormulaC10H17BrF3NO
Molecular Weight304.15 g/mol
Exact Mass303.04
IUPAC Name1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine
SMILESCCOC1CCCN(CC(Br)C(F)(F)F)C1
InChIInChI=1S/C10H17BrF3NO/c1-2-16-8-4-3-5-15(6-8)7-9(11)10(12,13)14/h8-9H,2-7H2,1H3
InChIKeyGOYRGINORVSFIV-UHFFFAOYSA-N
XLogP2.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine?
The IUPAC name of 1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine (CID 64758749) is 1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine.
What is the SMILES notation for 1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine?
The canonical SMILES for 1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine is CCOC1CCCN(CC(Br)C(F)(F)F)C1.
What is the InChIKey of 1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine?
The InChIKey is GOYRGINORVSFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO/c1-2-16-8-4-3-5-15(6-8)7-9(11)10(12,13)14/h8-9H,2-7H2,1H3.
What are the key properties of 1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine?
1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine has a molecular weight of 304.15 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,3,3-trifluoropropyl)-3-ethoxypiperidine is sourced from PubChem (CID 64758749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).