2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde

C9H15F2NO — CID 105444834

IUPAC2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde
SMILESCCN1CCCC(C(F)(F)C=O)C1
InChIInChI=1S/C9H15F2NO/c1-2-12-5-3-4-8(6-12)9(10,11)7-13/h7-8H,2-6H2,1H3
InChIKeyDNUZSAXTHNOGEZ-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.55
Rot. Bonds3

About 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde

2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde (PubChem CID 105444834) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde
PubChem CID105444834
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde
SMILESCCN1CCCC(C(F)(F)C=O)C1
InChIInChI=1S/C9H15F2NO/c1-2-12-5-3-4-8(6-12)9(10,11)7-13/h7-8H,2-6H2,1H3
InChIKeyDNUZSAXTHNOGEZ-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.55
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
3-(2,2,2-Trifluoroethyl)-3-azabicyclo[3.1.1]heptane-6-carbaldehyde
CID 145094891
2-(1-Fluoropiperidin-3-yl)acetaldehyde
CID 145353916
3-(1-Fluoropiperidin-4-yl)propanal
CID 145353941
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-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde (CID 105444834) is 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde is CCN1CCCC(C(F)(F)C=O)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde?
The InChIKey is DNUZSAXTHNOGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-2-12-5-3-4-8(6-12)9(10,11)7-13/h7-8H,2-6H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde?
2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde has a molecular weight of 191.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetaldehyde is sourced from PubChem (CID 105444834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).