1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine

C8H13BrF3N — CID 124508985

IUPAC1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine
SMILESFC(F)(F)[C@H](Br)CN1CCCCC1
InChIInChI=1S/C8H13BrF3N/c9-7(8(10,11)12)6-13-4-2-1-3-5-13/h7H,1-6H2/t7-/m1/s1
InChIKeyHUVNSMUEFJOGCP-SSDOTTSWSA-N
MW260.10 g/mol
LogP2.80
Rot. Bonds2

About 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine

1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine (PubChem CID 124508985) has the molecular formula C8H13BrF3N and a molecular weight of 260.10 g/mol. Its IUPAC name is 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine.

Molecular Properties

Compound Name1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine
PubChem CID124508985
Molecular FormulaC8H13BrF3N
Molecular Weight260.10 g/mol
Exact Mass259.02
IUPAC Name1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine
SMILESFC(F)(F)[C@H](Br)CN1CCCCC1
InChIInChI=1S/C8H13BrF3N/c9-7(8(10,11)12)6-13-4-2-1-3-5-13/h7H,1-6H2/t7-/m1/s1
InChIKeyHUVNSMUEFJOGCP-SSDOTTSWSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 52.80
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-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine?
The IUPAC name of 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine (CID 124508985) is 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine.
What is the SMILES notation for 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine?
The canonical SMILES for 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine is FC(F)(F)[C@H](Br)CN1CCCCC1.
What is the InChIKey of 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine?
The InChIKey is HUVNSMUEFJOGCP-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13BrF3N/c9-7(8(10,11)12)6-13-4-2-1-3-5-13/h7H,1-6H2/t7-/m1/s1.
What are the key properties of 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine?
1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine has a molecular weight of 260.10 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine is sourced from PubChem (CID 124508985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).