3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal

C10H17F2NO — CID 89355852

IUPAC3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO/c1-9(2,8-14)7-13-5-3-10(11,12)4-6-13/h8H,3-7H2,1-2H3
InChIKeyXXEVENRUQZBBQW-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.94
Rot. Bonds3

About 3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal

3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal (PubChem CID 89355852) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal
PubChem CID89355852
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO/c1-9(2,8-14)7-13-5-3-10(11,12)4-6-13/h8H,3-7H2,1-2H3
InChIKeyXXEVENRUQZBBQW-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-3-(piperidin-1-yl)propanal
CID 3135970
3-(2,2-Difluoropiperidin-1-yl)propanal
CID 129204965
3-(2,3-Difluoropiperidin-1-yl)propanal
CID 129204967
2-(4,4-Difluoropiperidin-1-yl)-2-methylpropanal
CID 135240311
4-(4,4-Difluoropiperidin-1-yl)-2-methylbutanal
CID 138474566
3-(4,4-Difluoropiperidin-1-yl)propanal
CID 140791088
2-[(4,4-Difluoropiperidin-1-yl)methyl]butanal
CID 143181514
3-[3,3-Difluorobutyl(ethyl)amino]-2,2-dimethylpropanal
CID 143181550
1,4-Dimethylpiperidine;2,2,2-trifluoroacetaldehyde
CID 143211697
2-Methyl-4-[4-(trifluoromethyl)piperidin-1-yl]butanal
CID 146588104
3-(3,3-Difluoropiperidin-1-yl)propanal
CID 164657437
1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde
CID 166702433

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal?
The IUPAC name of 3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal (CID 89355852) is 3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal.
What is the SMILES notation for 3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal?
The canonical SMILES for 3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal is CC(C)(C=O)CN1CCC(F)(F)CC1.
What is the InChIKey of 3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal?
The InChIKey is XXEVENRUQZBBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-9(2,8-14)7-13-5-3-10(11,12)4-6-13/h8H,3-7H2,1-2H3.
What are the key properties of 3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal?
3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal has a molecular weight of 205.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropanal is sourced from PubChem (CID 89355852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).