4-chloropiperidine-1-carbonyl fluoride

C6H9ClFNO — CID 89000212

IUPAC4-chloropiperidine-1-carbonyl fluoride
SMILESO=C(F)N1CCC(Cl)CC1
InChIInChI=1S/C6H9ClFNO/c7-5-1-3-9(4-2-5)6(8)10/h5H,1-4H2
InChIKeyIYYDPXDUORGCRK-UHFFFAOYSA-N
MW165.59 g/mol
LogP1.78
Rot. Bonds

About 4-chloropiperidine-1-carbonyl fluoride

4-chloropiperidine-1-carbonyl fluoride (PubChem CID 89000212) has the molecular formula C6H9ClFNO and a molecular weight of 165.59 g/mol. Its IUPAC name is 4-chloropiperidine-1-carbonyl fluoride.

Molecular Properties

Compound Name4-chloropiperidine-1-carbonyl fluoride
PubChem CID89000212
Molecular FormulaC6H9ClFNO
Molecular Weight165.59 g/mol
Exact Mass165.04
IUPAC Name4-chloropiperidine-1-carbonyl fluoride
SMILESO=C(F)N1CCC(Cl)CC1
InChIInChI=1S/C6H9ClFNO/c7-5-1-3-9(4-2-5)6(8)10/h5H,1-4H2
InChIKeyIYYDPXDUORGCRK-UHFFFAOYSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.59
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-Chloropiperidine-1-carbonyl chloride
CID 154147707
2-Chloro-1-(3-fluoropiperidin-1-yl)ethan-1-one
CID 68648644
3-Fluoropiperidine-1-carbonyl chloride
CID 139295840
4-Chloropiperidine-1-carbaldehyde
CID 151569678
2-Chloro-2-fluoro-1-(piperidin-1-yl)ethan-1-one
CID 15740022
2-Chloro-1-(4-fluoropiperidin-1-yl)ethan-1-one
CID 121200829
3-Chloro-1-(4-fluoropiperidin-1-yl)propan-1-one
CID 121200832
3-Chloro-1-(3-fluoropiperidin-1-yl)propan-1-one
CID 121200861
2-chloro-1-[(3R)-3-fluoropiperidin-1-yl]ethanone
CID 129388500
2-chloro-1-[(3S)-3-fluoropiperidin-1-yl]ethanone
CID 129388501
3-chloro-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
CID 129493733
3-chloro-1-[(3S)-3-fluoropiperidin-1-yl]propan-1-one
CID 129493734

Frequently Asked Questions

What is the IUPAC name of 4-chloropiperidine-1-carbonyl fluoride?
The IUPAC name of 4-chloropiperidine-1-carbonyl fluoride (CID 89000212) is 4-chloropiperidine-1-carbonyl fluoride.
What is the SMILES notation for 4-chloropiperidine-1-carbonyl fluoride?
The canonical SMILES for 4-chloropiperidine-1-carbonyl fluoride is O=C(F)N1CCC(Cl)CC1.
What is the InChIKey of 4-chloropiperidine-1-carbonyl fluoride?
The InChIKey is IYYDPXDUORGCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClFNO/c7-5-1-3-9(4-2-5)6(8)10/h5H,1-4H2.
What are the key properties of 4-chloropiperidine-1-carbonyl fluoride?
4-chloropiperidine-1-carbonyl fluoride has a molecular weight of 165.59 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropiperidine-1-carbonyl fluoride is sourced from PubChem (CID 89000212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).