2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde

C11H19F2NO — CID 84684720

IUPAC2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde
SMILESCC(F)(F)CCN1CCCC(CC=O)C1
InChIInChI=1S/C11H19F2NO/c1-11(12,13)5-7-14-6-2-3-10(9-14)4-8-15/h8,10H,2-7,9H2,1H3
InChIKeyJZGZOAOISSAFEQ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.33
Rot. Bonds5

About 2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde

2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde (PubChem CID 84684720) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde
PubChem CID84684720
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde
SMILESCC(F)(F)CCN1CCCC(CC=O)C1
InChIInChI=1S/C11H19F2NO/c1-11(12,13)5-7-14-6-2-3-10(9-14)4-8-15/h8,10H,2-7,9H2,1H3
InChIKeyJZGZOAOISSAFEQ-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.33
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

1-(2,2,2-Trifluoroethyl)piperidine-4-carbaldehyde
CID 62654280
1-(Difluoromethyl)piperidine-4-carbaldehyde
CID 62656642
1-(3,3,3-Trifluoropropyl)piperidine-4-carbaldehyde
CID 64566362
1-(2,2-Difluoropropyl)piperidine-4-carbaldehyde
CID 84663158
1-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 118903174
4-(4,4-Difluoropiperidin-1-yl)-2-methylbutanal
CID 138474566
4-Fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde
CID 142584248
2-[(4,4-Difluoropiperidin-1-yl)methyl]butanal
CID 143181514
1,4-Dimethylpiperidine;2,2,2-trifluoroacetaldehyde
CID 143211697
3-(2,2,2-Trifluoroethyl)-3-azabicyclo[3.1.1]heptane-6-carbaldehyde
CID 145094891
2-Methyl-4-[4-(trifluoromethyl)piperidin-1-yl]butanal
CID 146588104
(4S)-1-methyl-3-(trifluoromethyl)piperidine-4-carbaldehyde
CID 163219698

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde?
The IUPAC name of 2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde (CID 84684720) is 2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde?
The canonical SMILES for 2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde is CC(F)(F)CCN1CCCC(CC=O)C1.
What is the InChIKey of 2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde?
The InChIKey is JZGZOAOISSAFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-11(12,13)5-7-14-6-2-3-10(9-14)4-8-15/h8,10H,2-7,9H2,1H3.
What are the key properties of 2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde?
2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde has a molecular weight of 219.27 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-difluorobutyl)piperidin-3-yl]acetaldehyde is sourced from PubChem (CID 84684720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).