2-chloro-2-fluoro-1-piperidin-1-ylethanone

C7H11ClFNO — CID 15740022

IUPAC2-chloro-2-fluoro-1-piperidin-1-ylethanone
SMILESO=C(C(F)Cl)N1CCCCC1
InChIInChI=1S/C7H11ClFNO/c8-6(9)7(11)10-4-2-1-3-5-10/h6H,1-5H2
InChIKeyUMQPEFYDSPOVDP-UHFFFAOYSA-N
MW179.62 g/mol
LogP1.53
Rot. Bonds1

About 2-chloro-2-fluoro-1-piperidin-1-ylethanone

2-chloro-2-fluoro-1-piperidin-1-ylethanone (PubChem CID 15740022) has the molecular formula C7H11ClFNO and a molecular weight of 179.62 g/mol. Its IUPAC name is 2-chloro-2-fluoro-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-chloro-2-fluoro-1-piperidin-1-ylethanone
PubChem CID15740022
Molecular FormulaC7H11ClFNO
Molecular Weight179.62 g/mol
Exact Mass179.05
IUPAC Name2-chloro-2-fluoro-1-piperidin-1-ylethanone
SMILESO=C(C(F)Cl)N1CCCCC1
InChIInChI=1S/C7H11ClFNO/c8-6(9)7(11)10-4-2-1-3-5-10/h6H,1-5H2
InChIKeyUMQPEFYDSPOVDP-UHFFFAOYSA-N
XLogP1.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.62
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-2-fluoro-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperidine, 1-trichloroacetyl-
CID 137534
2-Chloro-1-piperidine-1-yl-ethanone
CID 222312
1-(Chloroacetyl)-2-methylpiperidine
CID 107305
2-Chloro-1-(piperidin-1-yl)propan-1-one
CID 3282976
2,2-Dichloro-1-(piperidin-1-yl)ethanone
CID 243215
2-Chloro-1-[3-(trifluoromethyl)piperidin-1-yl]ethan-1-one
CID 54592447
2-Chloro-3,3,3-trifluoro-1-piperidino-1-propanone
CID 2781253
2-Chloro-2,2-difluoro-1-(piperidin-1-yl)ethan-1-one
CID 130693954
1-(2-Chloro-acetyl)-piperidin-4-one
CID 18400207
2-Chloro-1-(4,4-difluoropiperidin-1-yl)ethan-1-one
CID 45080911
2-Chloro-1-[4-(trifluoromethyl)piperidin-1-yl]ethan-1-one
CID 65534253
2-Chloro-1-(3-fluoropiperidin-1-yl)ethan-1-one
CID 68648644

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-1-piperidin-1-ylethanone?
The IUPAC name of 2-chloro-2-fluoro-1-piperidin-1-ylethanone (CID 15740022) is 2-chloro-2-fluoro-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-chloro-2-fluoro-1-piperidin-1-ylethanone?
The canonical SMILES for 2-chloro-2-fluoro-1-piperidin-1-ylethanone is O=C(C(F)Cl)N1CCCCC1.
What is the InChIKey of 2-chloro-2-fluoro-1-piperidin-1-ylethanone?
The InChIKey is UMQPEFYDSPOVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClFNO/c8-6(9)7(11)10-4-2-1-3-5-10/h6H,1-5H2.
What are the key properties of 2-chloro-2-fluoro-1-piperidin-1-ylethanone?
2-chloro-2-fluoro-1-piperidin-1-ylethanone has a molecular weight of 179.62 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-1-piperidin-1-ylethanone is sourced from PubChem (CID 15740022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).