acetaldehyde;4-fluoropiperidine

C7H14FNO — CID 143837102

IUPACacetaldehyde;4-fluoropiperidine
SMILESCC=O.FC1CCNCC1
InChIInChI=1S/C5H10FN.C2H4O/c6-5-1-3-7-4-2-5;1-2-3/h5,7H,1-4H2;2H,1H3
InChIKeyBMNPLINKHBHWRZ-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.91
Rot. Bonds

About acetaldehyde;4-fluoropiperidine

acetaldehyde;4-fluoropiperidine (PubChem CID 143837102) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is acetaldehyde;4-fluoropiperidine.

Molecular Properties

Compound Nameacetaldehyde;4-fluoropiperidine
PubChem CID143837102
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Nameacetaldehyde;4-fluoropiperidine
SMILESCC=O.FC1CCNCC1
InChIInChI=1S/C5H10FN.C2H4O/c6-5-1-3-7-4-2-5;1-2-3/h5,7H,1-4H2;2H,1H3
InChIKeyBMNPLINKHBHWRZ-UHFFFAOYSA-N
XLogP0.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;4-fluoropiperidine?
The IUPAC name of acetaldehyde;4-fluoropiperidine (CID 143837102) is acetaldehyde;4-fluoropiperidine.
What is the SMILES notation for acetaldehyde;4-fluoropiperidine?
The canonical SMILES for acetaldehyde;4-fluoropiperidine is CC=O.FC1CCNCC1.
What is the InChIKey of acetaldehyde;4-fluoropiperidine?
The InChIKey is BMNPLINKHBHWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN.C2H4O/c6-5-1-3-7-4-2-5;1-2-3/h5,7H,1-4H2;2H,1H3.
What are the key properties of acetaldehyde;4-fluoropiperidine?
acetaldehyde;4-fluoropiperidine has a molecular weight of 147.19 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;4-fluoropiperidine is sourced from PubChem (CID 143837102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).