3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one

C8H10BrF4NO — CID 106292732

IUPAC3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one
SMILESO=C1C(Br)CCCN1CC(F)(F)C(F)F
InChIInChI=1S/C8H10BrF4NO/c9-5-2-1-3-14(6(5)15)4-8(12,13)7(10)11/h5,7H,1-4H2
InChIKeyPPDVXBHCMQIJOP-UHFFFAOYSA-N
MW292.07 g/mol
LogP2.27
Rot. Bonds3

About 3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one

3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one (PubChem CID 106292732) has the molecular formula C8H10BrF4NO and a molecular weight of 292.07 g/mol. Its IUPAC name is 3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one
PubChem CID106292732
Molecular FormulaC8H10BrF4NO
Molecular Weight292.07 g/mol
Exact Mass290.99
IUPAC Name3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one
SMILESO=C1C(Br)CCCN1CC(F)(F)C(F)F
InChIInChI=1S/C8H10BrF4NO/c9-5-2-1-3-14(6(5)15)4-8(12,13)7(10)11/h5,7H,1-4H2
InChIKeyPPDVXBHCMQIJOP-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one?
The IUPAC name of 3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one (CID 106292732) is 3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one.
What is the SMILES notation for 3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one?
The canonical SMILES for 3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one is O=C1C(Br)CCCN1CC(F)(F)C(F)F.
What is the InChIKey of 3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one?
The InChIKey is PPDVXBHCMQIJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF4NO/c9-5-2-1-3-14(6(5)15)4-8(12,13)7(10)11/h5,7H,1-4H2.
What are the key properties of 3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one?
3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one has a molecular weight of 292.07 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one is sourced from PubChem (CID 106292732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).