acetaldehyde;(3R)-3-fluoropiperidine

C7H14FNO — CID 165137885

IUPACacetaldehyde;(3R)-3-fluoropiperidine
SMILESCC=O.F[C@@H]1CCCNC1
InChIInChI=1S/C5H10FN.C2H4O/c6-5-2-1-3-7-4-5;1-2-3/h5,7H,1-4H2;2H,1H3/t5-;/m1./s1
InChIKeyGUSXMBRKEPYWMQ-NUBCRITNSA-N
MW147.19 g/mol
LogP0.91
Rot. Bonds

About acetaldehyde;(3R)-3-fluoropiperidine

acetaldehyde;(3R)-3-fluoropiperidine (PubChem CID 165137885) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is acetaldehyde;(3R)-3-fluoropiperidine.

Molecular Properties

Compound Nameacetaldehyde;(3R)-3-fluoropiperidine
PubChem CID165137885
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Nameacetaldehyde;(3R)-3-fluoropiperidine
SMILESCC=O.F[C@@H]1CCCNC1
InChIInChI=1S/C5H10FN.C2H4O/c6-5-2-1-3-7-4-5;1-2-3/h5,7H,1-4H2;2H,1H3/t5-;/m1./s1
InChIKeyGUSXMBRKEPYWMQ-NUBCRITNSA-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;(3R)-3-fluoropiperidine?
The IUPAC name of acetaldehyde;(3R)-3-fluoropiperidine (CID 165137885) is acetaldehyde;(3R)-3-fluoropiperidine.
What is the SMILES notation for acetaldehyde;(3R)-3-fluoropiperidine?
The canonical SMILES for acetaldehyde;(3R)-3-fluoropiperidine is CC=O.F[C@@H]1CCCNC1.
What is the InChIKey of acetaldehyde;(3R)-3-fluoropiperidine?
The InChIKey is GUSXMBRKEPYWMQ-NUBCRITNSA-N. The full InChI is InChI=1S/C5H10FN.C2H4O/c6-5-2-1-3-7-4-5;1-2-3/h5,7H,1-4H2;2H,1H3/t5-;/m1./s1.
What are the key properties of acetaldehyde;(3R)-3-fluoropiperidine?
acetaldehyde;(3R)-3-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;(3R)-3-fluoropiperidine is sourced from PubChem (CID 165137885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).