2-(4,4-difluoropiperidin-1-yl)propanal

C8H13F2NO — CID 175762079

IUPAC2-(4,4-difluoropiperidin-1-yl)propanal
SMILESCC(C=O)N1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2NO/c1-7(6-12)11-4-2-8(9,10)3-5-11/h6-7H,2-5H2,1H3
InChIKeyMPCDXALRTGQEQR-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.30
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)propanal

2-(4,4-difluoropiperidin-1-yl)propanal (PubChem CID 175762079) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)propanal.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)propanal
PubChem CID175762079
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name2-(4,4-difluoropiperidin-1-yl)propanal
SMILESCC(C=O)N1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2NO/c1-7(6-12)11-4-2-8(9,10)3-5-11/h6-7H,2-5H2,1H3
InChIKeyMPCDXALRTGQEQR-UHFFFAOYSA-N
XLogP1.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.30
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 2-(4,4-difluoropiperidin-1-yl)propanal?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)propanal (CID 175762079) is 2-(4,4-difluoropiperidin-1-yl)propanal.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)propanal?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)propanal is CC(C=O)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)propanal?
The InChIKey is MPCDXALRTGQEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-7(6-12)11-4-2-8(9,10)3-5-11/h6-7H,2-5H2,1H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)propanal?
2-(4,4-difluoropiperidin-1-yl)propanal has a molecular weight of 177.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)propanal is sourced from PubChem (CID 175762079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).