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

C8H13F2NO — CID 164657437

IUPAC3-(3,3-difluoropiperidin-1-yl)propanal
SMILESO=CCCN1CCCC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c9-8(10)3-1-4-11(7-8)5-2-6-12/h6H,1-5,7H2
InChIKeyDVJZXIZTBNNDAH-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.31
Rot. Bonds3

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

3-(3,3-difluoropiperidin-1-yl)propanal (PubChem CID 164657437) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3-(3,3-difluoropiperidin-1-yl)propanal.

Molecular Properties

Compound Name3-(3,3-difluoropiperidin-1-yl)propanal
PubChem CID164657437
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3-(3,3-difluoropiperidin-1-yl)propanal
SMILESO=CCCN1CCCC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c9-8(10)3-1-4-11(7-8)5-2-6-12/h6H,1-5,7H2
InChIKeyDVJZXIZTBNNDAH-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 50
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 3-(3,3-difluoropiperidin-1-yl)propanal?
The IUPAC name of 3-(3,3-difluoropiperidin-1-yl)propanal (CID 164657437) is 3-(3,3-difluoropiperidin-1-yl)propanal.
What is the SMILES notation for 3-(3,3-difluoropiperidin-1-yl)propanal?
The canonical SMILES for 3-(3,3-difluoropiperidin-1-yl)propanal is O=CCCN1CCCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropiperidin-1-yl)propanal?
The InChIKey is DVJZXIZTBNNDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)3-1-4-11(7-8)5-2-6-12/h6H,1-5,7H2.
What are the key properties of 3-(3,3-difluoropiperidin-1-yl)propanal?
3-(3,3-difluoropiperidin-1-yl)propanal has a molecular weight of 177.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropiperidin-1-yl)propanal is sourced from PubChem (CID 164657437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).