2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone

C7H10ClF2NO — CID 45080911

IUPAC2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone
SMILESO=C(CCl)N1CCC(F)(F)CC1
InChIInChI=1S/C7H10ClF2NO/c8-5-6(12)11-3-1-7(9,10)2-4-11/h1-5H2
InChIKeyGFSOLVXDIRDIHL-UHFFFAOYSA-N
MW197.61 g/mol
LogP1.48
Rot. Bonds1

About 2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone

2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone (PubChem CID 45080911) has the molecular formula C7H10ClF2NO and a molecular weight of 197.61 g/mol. Its IUPAC name is 2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone
PubChem CID45080911
Molecular FormulaC7H10ClF2NO
Molecular Weight197.61 g/mol
Exact Mass197.04
IUPAC Name2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone
SMILESO=C(CCl)N1CCC(F)(F)CC1
InChIInChI=1S/C7H10ClF2NO/c8-5-6(12)11-3-1-7(9,10)2-4-11/h1-5H2
InChIKeyGFSOLVXDIRDIHL-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.61
LogP ≤ 51.48
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

2-Chloro-1-piperidine-1-yl-ethanone
CID 222312
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
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
(2S)-2-chloro-3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one
CID 7020668
(2R)-2-chloro-3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one
CID 7043201
2-Chloro-2-fluoro-1-(piperidin-1-yl)ethan-1-one
CID 15740022
2-Chloro-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60917880

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone (CID 45080911) is 2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone is O=C(CCl)N1CCC(F)(F)CC1.
What is the InChIKey of 2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone?
The InChIKey is GFSOLVXDIRDIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2NO/c8-5-6(12)11-3-1-7(9,10)2-4-11/h1-5H2.
What are the key properties of 2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone?
2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone has a molecular weight of 197.61 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4,4-difluoropiperidin-1-yl)ethanone is sourced from PubChem (CID 45080911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).