1-ethyl-4-fluoropiperidine-4-carbonyl chloride

C8H13ClFNO — CID 149297636

IUPAC1-ethyl-4-fluoropiperidine-4-carbonyl chloride
SMILESCCN1CCC(F)(C(=O)Cl)CC1
InChIInChI=1S/C8H13ClFNO/c1-2-11-5-3-8(10,4-6-11)7(9)12/h2-6H2,1H3
InChIKeyXWCLKRXINGDSED-UHFFFAOYSA-N
MW193.65 g/mol
LogP1.58
Rot. Bonds2

About 1-ethyl-4-fluoropiperidine-4-carbonyl chloride

1-ethyl-4-fluoropiperidine-4-carbonyl chloride (PubChem CID 149297636) has the molecular formula C8H13ClFNO and a molecular weight of 193.65 g/mol. Its IUPAC name is 1-ethyl-4-fluoropiperidine-4-carbonyl chloride.

Molecular Properties

Compound Name1-ethyl-4-fluoropiperidine-4-carbonyl chloride
PubChem CID149297636
Molecular FormulaC8H13ClFNO
Molecular Weight193.65 g/mol
Exact Mass193.07
IUPAC Name1-ethyl-4-fluoropiperidine-4-carbonyl chloride
SMILESCCN1CCC(F)(C(=O)Cl)CC1
InChIInChI=1S/C8H13ClFNO/c1-2-11-5-3-8(10,4-6-11)7(9)12/h2-6H2,1H3
InChIKeyXWCLKRXINGDSED-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.65
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoropiperidine-4-carbonyl chloride?
The IUPAC name of 1-ethyl-4-fluoropiperidine-4-carbonyl chloride (CID 149297636) is 1-ethyl-4-fluoropiperidine-4-carbonyl chloride.
What is the SMILES notation for 1-ethyl-4-fluoropiperidine-4-carbonyl chloride?
The canonical SMILES for 1-ethyl-4-fluoropiperidine-4-carbonyl chloride is CCN1CCC(F)(C(=O)Cl)CC1.
What is the InChIKey of 1-ethyl-4-fluoropiperidine-4-carbonyl chloride?
The InChIKey is XWCLKRXINGDSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClFNO/c1-2-11-5-3-8(10,4-6-11)7(9)12/h2-6H2,1H3.
What are the key properties of 1-ethyl-4-fluoropiperidine-4-carbonyl chloride?
1-ethyl-4-fluoropiperidine-4-carbonyl chloride has a molecular weight of 193.65 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoropiperidine-4-carbonyl chloride is sourced from PubChem (CID 149297636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).