2,2-difluoro-3-piperidin-4-ylpropanal

C8H13F2NO — CID 105436770

IUPAC2,2-difluoro-3-piperidin-4-ylpropanal
SMILESO=CC(F)(F)CC1CCNCC1
InChIInChI=1S/C8H13F2NO/c9-8(10,6-12)5-7-1-3-11-4-2-7/h6-7,11H,1-5H2
InChIKeyDQDVOKITMCQKEC-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.21
Rot. Bonds3

About 2,2-difluoro-3-piperidin-4-ylpropanal

2,2-difluoro-3-piperidin-4-ylpropanal (PubChem CID 105436770) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 2,2-difluoro-3-piperidin-4-ylpropanal.

Molecular Properties

Compound Name2,2-difluoro-3-piperidin-4-ylpropanal
PubChem CID105436770
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name2,2-difluoro-3-piperidin-4-ylpropanal
SMILESO=CC(F)(F)CC1CCNCC1
InChIInChI=1S/C8H13F2NO/c9-8(10,6-12)5-7-1-3-11-4-2-7/h6-7,11H,1-5H2
InChIKeyDQDVOKITMCQKEC-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Piperidin-4-ylbutanal
CID 11840929
(2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde
CID 118902444
2-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 118902455
6-(Methylamino)-4-(trifluoromethyl)hexanal
CID 144206770
Methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde
CID 144773727
5,5-Difluoropiperidine-3-carbaldehyde;ethane;methanamine
CID 153331044
(3R)-3-(trifluoromethyl)piperidine-2-carbaldehyde
CID 169961235
2-(Trifluoromethyl)piperidine-3-carbaldehyde
CID 174302432
5-(Trifluoromethyl)piperidine-2-carbaldehyde
CID 174538090
2-[1-(2,2-Difluoroethyl)piperidin-3-yl]acetaldehyde
CID 84663160
2-[1-(3,3-Difluoropropyl)piperidin-3-yl]acetaldehyde
CID 84673170
2-[1-(2,2,2-Trifluoroethyl)piperidin-3-yl]acetaldehyde
CID 84676626

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-piperidin-4-ylpropanal?
The IUPAC name of 2,2-difluoro-3-piperidin-4-ylpropanal (CID 105436770) is 2,2-difluoro-3-piperidin-4-ylpropanal.
What is the SMILES notation for 2,2-difluoro-3-piperidin-4-ylpropanal?
The canonical SMILES for 2,2-difluoro-3-piperidin-4-ylpropanal is O=CC(F)(F)CC1CCNCC1.
What is the InChIKey of 2,2-difluoro-3-piperidin-4-ylpropanal?
The InChIKey is DQDVOKITMCQKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10,6-12)5-7-1-3-11-4-2-7/h6-7,11H,1-5H2.
What are the key properties of 2,2-difluoro-3-piperidin-4-ylpropanal?
2,2-difluoro-3-piperidin-4-ylpropanal has a molecular weight of 177.19 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-piperidin-4-ylpropanal is sourced from PubChem (CID 105436770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).