2-fluoro-2-piperidin-1-ylpropanal

C8H14FNO — CID 174736267

IUPAC2-fluoro-2-piperidin-1-ylpropanal
SMILESCC(F)(C=O)N1CCCCC1
InChIInChI=1S/C8H14FNO/c1-8(9,7-11)10-5-3-2-4-6-10/h7H,2-6H2,1H3
InChIKeyHNZXGWFDTMZNOT-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.36
Rot. Bonds2

About 2-fluoro-2-piperidin-1-ylpropanal

2-fluoro-2-piperidin-1-ylpropanal (PubChem CID 174736267) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 2-fluoro-2-piperidin-1-ylpropanal.

Molecular Properties

Compound Name2-fluoro-2-piperidin-1-ylpropanal
PubChem CID174736267
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name2-fluoro-2-piperidin-1-ylpropanal
SMILESCC(F)(C=O)N1CCCCC1
InChIInChI=1S/C8H14FNO/c1-8(9,7-11)10-5-3-2-4-6-10/h7H,2-6H2,1H3
InChIKeyHNZXGWFDTMZNOT-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-piperidin-1-ylpropanal?
The IUPAC name of 2-fluoro-2-piperidin-1-ylpropanal (CID 174736267) is 2-fluoro-2-piperidin-1-ylpropanal.
What is the SMILES notation for 2-fluoro-2-piperidin-1-ylpropanal?
The canonical SMILES for 2-fluoro-2-piperidin-1-ylpropanal is CC(F)(C=O)N1CCCCC1.
What is the InChIKey of 2-fluoro-2-piperidin-1-ylpropanal?
The InChIKey is HNZXGWFDTMZNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-8(9,7-11)10-5-3-2-4-6-10/h7H,2-6H2,1H3.
What are the key properties of 2-fluoro-2-piperidin-1-ylpropanal?
2-fluoro-2-piperidin-1-ylpropanal has a molecular weight of 159.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-piperidin-1-ylpropanal is sourced from PubChem (CID 174736267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).