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

C9H15F2NO — CID 135240311

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-methylpropanal
SMILESCC(C)(C=O)N1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO/c1-8(2,7-13)12-5-3-9(10,11)4-6-12/h7H,3-6H2,1-2H3
InChIKeyIIFQABCFFSPVKL-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.70
Rot. Bonds2

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

2-(4,4-difluoropiperidin-1-yl)-2-methylpropanal (PubChem CID 135240311) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-methylpropanal
PubChem CID135240311
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-methylpropanal
SMILESCC(C)(C=O)N1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO/c1-8(2,7-13)12-5-3-9(10,11)4-6-12/h7H,3-6H2,1-2H3
InChIKeyIIFQABCFFSPVKL-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.70
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

3-(4,4-Difluoropiperidin-1-yl)-2,2-dimethylpropanal
CID 89355852
2-(4,4-Difluoropiperidin-1-yl)acetaldehyde
CID 115012806
2-(2,2,3-Trifluoropiperidin-1-yl)acetaldehyde
CID 142793535
2-Fluoro-2-piperidin-1-ylpropanal
CID 174736267
2-(4,4-Difluoropiperidin-1-yl)propanal
CID 175762079
2-[4-(Trifluoromethyl)piperidin-1-yl]acetaldehyde
CID 57495828
2-[3-(Trifluoromethyl)piperidin-1-yl]acetaldehyde
CID 57495829
2-(4-Fluoro-4-methylpiperidin-1-yl)acetaldehyde
CID 115012453
2-(3-Fluoro-3-methylpiperidin-1-yl)acetaldehyde
CID 115012454
2-(3,3-Difluoropiperidin-1-yl)acetaldehyde
CID 115012807
2-[4-(Difluoromethyl)piperidin-1-yl]acetaldehyde
CID 130646307
2-(4-Ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde
CID 156799249

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanal?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanal (CID 135240311) is 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanal.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanal?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanal is CC(C)(C=O)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanal?
The InChIKey is IIFQABCFFSPVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-8(2,7-13)12-5-3-9(10,11)4-6-12/h7H,3-6H2,1-2H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanal?
2-(4,4-difluoropiperidin-1-yl)-2-methylpropanal has a molecular weight of 191.22 g/mol, XLogP of 1.70, 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)-2-methylpropanal is sourced from PubChem (CID 135240311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).