2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde

C8H13F2NO — CID 130646307

IUPAC2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde
SMILESO=CCN1CCC(C(F)F)CC1
InChIInChI=1S/C8H13F2NO/c9-8(10)7-1-3-11(4-2-7)5-6-12/h6-8H,1-5H2
InChIKeyHRSXLBYXQFEUIT-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.16
Rot. Bonds3

About 2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde

2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde (PubChem CID 130646307) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde
PubChem CID130646307
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde
SMILESO=CCN1CCC(C(F)F)CC1
InChIInChI=1S/C8H13F2NO/c9-8(10)7-1-3-11(4-2-7)5-6-12/h6-8H,1-5H2
InChIKeyHRSXLBYXQFEUIT-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.16
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-[4-(Trifluoromethyl)piperidin-1-yl]propan-2-one
CID 65539035
1-(2,2-Difluoropropyl)piperidine-4-carbaldehyde
CID 84663158
2-(4,4-Difluoropiperidin-1-yl)acetaldehyde
CID 115012806
2-[4-(Trifluoromethyl)piperidin-1-yl]acetyl iodide
CID 117607817
1-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 118903174
2-(4,4-Difluoropiperidin-1-yl)-2-methylpropanal
CID 135240311
2-(2,2,3-Trifluoropiperidin-1-yl)acetaldehyde
CID 142793535
1,4-Dimethylpiperidine;2,2,2-trifluoroacetaldehyde
CID 143211697
2-Oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetaldehyde
CID 144773567

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde?
The IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde (CID 130646307) is 2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde is O=CCN1CCC(C(F)F)CC1.
What is the InChIKey of 2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde?
The InChIKey is HRSXLBYXQFEUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)7-1-3-11(4-2-7)5-6-12/h6-8H,1-5H2.
What are the key properties of 2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde?
2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde has a molecular weight of 177.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)piperidin-1-yl]acetaldehyde is sourced from PubChem (CID 130646307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).