1-(2,2-difluoroethyl)piperidine-3-carbaldehyde

C8H13F2NO — CID 62662209

IUPAC1-(2,2-difluoroethyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CC(F)F)C1
InChIInChI=1S/C8H13F2NO/c9-8(10)5-11-3-1-2-7(4-11)6-12/h6-8H,1-5H2
InChIKeyJTXHMFJTTLXZNO-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.16
Rot. Bonds3

About 1-(2,2-difluoroethyl)piperidine-3-carbaldehyde

1-(2,2-difluoroethyl)piperidine-3-carbaldehyde (PubChem CID 62662209) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)piperidine-3-carbaldehyde
PubChem CID62662209
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-(2,2-difluoroethyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CC(F)F)C1
InChIInChI=1S/C8H13F2NO/c9-8(10)5-11-3-1-2-7(4-11)6-12/h6-8H,1-5H2
InChIKeyJTXHMFJTTLXZNO-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-Ethylpiperidine-3-Carbaldehyde Hydrochloride
CID 53398879
1-(Difluoromethyl)piperidine-3-carbaldehyde
CID 62654021
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
3-(2,2-Difluoropiperidin-1-yl)propanal
CID 129204965
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
(4S)-1-methyl-3-(trifluoromethyl)piperidine-4-carbaldehyde
CID 163219698

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(2,2-difluoroethyl)piperidine-3-carbaldehyde (CID 62662209) is 1-(2,2-difluoroethyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(2,2-difluoroethyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(2,2-difluoroethyl)piperidine-3-carbaldehyde is O=CC1CCCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)piperidine-3-carbaldehyde?
The InChIKey is JTXHMFJTTLXZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)5-11-3-1-2-7(4-11)6-12/h6-8H,1-5H2.
What are the key properties of 1-(2,2-difluoroethyl)piperidine-3-carbaldehyde?
1-(2,2-difluoroethyl)piperidine-3-carbaldehyde 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 1-(2,2-difluoroethyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 62662209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).