2-bromo-2,2-difluoro-1-piperidin-1-ylethanone

C7H10BrF2NO — CID 3695244

IUPAC2-bromo-2,2-difluoro-1-piperidin-1-ylethanone
SMILESO=C(N1CCCCC1)C(F)(F)Br
InChIInChI=1S/C7H10BrF2NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-5H2
InChIKeyLYWHFGULCWQURX-UHFFFAOYSA-N
MW242.06 g/mol
LogP1.99
Rot. Bonds1

About 2-bromo-2,2-difluoro-1-piperidin-1-ylethanone

2-bromo-2,2-difluoro-1-piperidin-1-ylethanone (PubChem CID 3695244) has the molecular formula C7H10BrF2NO and a molecular weight of 242.06 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-1-piperidin-1-ylethanone
PubChem CID3695244
Molecular FormulaC7H10BrF2NO
Molecular Weight242.06 g/mol
Exact Mass240.99
IUPAC Name2-bromo-2,2-difluoro-1-piperidin-1-ylethanone
SMILESO=C(N1CCCCC1)C(F)(F)Br
InChIInChI=1S/C7H10BrF2NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-5H2
InChIKeyLYWHFGULCWQURX-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Piperidine, 1-fluoroacetyl-
CID 120208
1-Trifluoroacetyl piperidine
CID 5181830
1-(Bromoacetyl)piperidine
CID 10822137
2,2,2-Trifluoro-1-(3-fluoropiperidin-1-yl)ethan-1-one
CID 134827901
1-(3,3,3-Trifluoropropanoyl)piperidine
CID 14383592
1-(4,4-Difluoropiperidin-1-yl)ethanone
CID 23402906
2,2,2-Trifluoro-1-(4-fluoropiperidin-1-yl)ethan-1-one
CID 134827891
1-(cis-3,5-Difluoropiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827913
2,2,2-trifluoro-1-[(3S)-3-fluoropiperidin-1-yl]ethanone
CID 177853587
4,4-Difluoro-1-(trifluoroacetyl)-piperidine
CID 45081156
3-Bromo-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 22403796
2,2-Difluoro-1-(1-Piperidinyl)Ethanone
CID 45080759

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoro-1-piperidin-1-ylethanone?
The IUPAC name of 2-bromo-2,2-difluoro-1-piperidin-1-ylethanone (CID 3695244) is 2-bromo-2,2-difluoro-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-bromo-2,2-difluoro-1-piperidin-1-ylethanone?
The canonical SMILES for 2-bromo-2,2-difluoro-1-piperidin-1-ylethanone is O=C(N1CCCCC1)C(F)(F)Br.
What is the InChIKey of 2-bromo-2,2-difluoro-1-piperidin-1-ylethanone?
The InChIKey is LYWHFGULCWQURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrF2NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-5H2.
What are the key properties of 2-bromo-2,2-difluoro-1-piperidin-1-ylethanone?
2-bromo-2,2-difluoro-1-piperidin-1-ylethanone has a molecular weight of 242.06 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-1-piperidin-1-ylethanone is sourced from PubChem (CID 3695244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).