2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde

C10H18FNO — CID 105442721

IUPAC2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde
SMILESCC(C)N1CCCC(C(F)C=O)C1
InChIInChI=1S/C10H18FNO/c1-8(2)12-5-3-4-9(6-12)10(11)7-13/h7-10H,3-6H2,1-2H3
InChIKeyAQGMOALKAFODFQ-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.64
Rot. Bonds3

About 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde

2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde (PubChem CID 105442721) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde
PubChem CID105442721
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde
SMILESCC(C)N1CCCC(C(F)C=O)C1
InChIInChI=1S/C10H18FNO/c1-8(2)12-5-3-4-9(6-12)10(11)7-13/h7-10H,3-6H2,1-2H3
InChIKeyAQGMOALKAFODFQ-UHFFFAOYSA-N
XLogP1.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.64
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-(Pentan-3-yl)piperidine-4-carbaldehyde
CID 80098853
1-Tert-butyl-4-fluoropiperidine-4-carbaldehyde
CID 122641096
(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde
CID 126752432
4-Fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde
CID 142584248
1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde
CID 166702196
1-(2-Fluoro-2-methylpropyl)piperidine-4-carbaldehyde
CID 166702246
7-(2-Fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde
CID 166702370
1-(1,1,1-Trifluoropropan-2-yl)piperidine-4-carbaldehyde
CID 170775069
1-(3-Fluoropropyl)piperidine-4-carbaldehyde
CID 81114517
2-[1-(2,2-Difluoroethyl)piperidin-3-yl]acetaldehyde
CID 84663160
2-[1-(2,2-Difluoropropyl)piperidin-3-yl]acetaldehyde
CID 84673162
2-[1-(3,3-Difluoropropyl)piperidin-3-yl]acetaldehyde
CID 84673170

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde?
The IUPAC name of 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde (CID 105442721) is 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde.
What is the SMILES notation for 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde?
The canonical SMILES for 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde is CC(C)N1CCCC(C(F)C=O)C1.
What is the InChIKey of 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde?
The InChIKey is AQGMOALKAFODFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8(2)12-5-3-4-9(6-12)10(11)7-13/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde?
2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde has a molecular weight of 187.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetaldehyde is sourced from PubChem (CID 105442721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).