3-(2,2-difluoropiperidin-1-yl)propanal

C8H13F2NO — CID 129204965

IUPAC3-(2,2-difluoropiperidin-1-yl)propanal
SMILESO=CCCN1CCCCC1(F)F
InChIInChI=1S/C8H13F2NO/c9-8(10)4-1-2-5-11(8)6-3-7-12/h7H,1-6H2
InChIKeyAKJQQAOPDVQWRU-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.65
Rot. Bonds3

About 3-(2,2-difluoropiperidin-1-yl)propanal

3-(2,2-difluoropiperidin-1-yl)propanal (PubChem CID 129204965) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3-(2,2-difluoropiperidin-1-yl)propanal.

Molecular Properties

Compound Name3-(2,2-difluoropiperidin-1-yl)propanal
PubChem CID129204965
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3-(2,2-difluoropiperidin-1-yl)propanal
SMILESO=CCCN1CCCCC1(F)F
InChIInChI=1S/C8H13F2NO/c9-8(10)4-1-2-5-11(8)6-3-7-12/h7H,1-6H2
InChIKeyAKJQQAOPDVQWRU-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.65
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 3-(2,2-difluoropiperidin-1-yl)propanal?
The IUPAC name of 3-(2,2-difluoropiperidin-1-yl)propanal (CID 129204965) is 3-(2,2-difluoropiperidin-1-yl)propanal.
What is the SMILES notation for 3-(2,2-difluoropiperidin-1-yl)propanal?
The canonical SMILES for 3-(2,2-difluoropiperidin-1-yl)propanal is O=CCCN1CCCCC1(F)F.
What is the InChIKey of 3-(2,2-difluoropiperidin-1-yl)propanal?
The InChIKey is AKJQQAOPDVQWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)4-1-2-5-11(8)6-3-7-12/h7H,1-6H2.
What are the key properties of 3-(2,2-difluoropiperidin-1-yl)propanal?
3-(2,2-difluoropiperidin-1-yl)propanal has a molecular weight of 177.19 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropiperidin-1-yl)propanal is sourced from PubChem (CID 129204965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).