2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde

C7H12FNO — CID 105428771

IUPAC2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde
SMILESCN1CCC(C(F)C=O)C1
InChIInChI=1S/C7H12FNO/c1-9-3-2-6(4-9)7(8)5-10/h5-7H,2-4H2,1H3
InChIKeyZJNDAGULLAZAMP-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.48
Rot. Bonds2

About 2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde

2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde (PubChem CID 105428771) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde
PubChem CID105428771
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde
SMILESCN1CCC(C(F)C=O)C1
InChIInChI=1S/C7H12FNO/c1-9-3-2-6(4-9)7(8)5-10/h5-7H,2-4H2,1H3
InChIKeyZJNDAGULLAZAMP-UHFFFAOYSA-N
XLogP0.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.48
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

(3S,4R)-4-fluoro-1-methylpyrrolidine-3-carbaldehyde
CID 58473039
4-Fluoro-1-methylpyrrolidine-3-carbaldehyde
CID 76797063
2-[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]acetaldehyde
CID 84655880
2-[1-(2,2-Difluoropropyl)pyrrolidin-3-yl]acetaldehyde
CID 84663159
2-[1-(3,3-Difluoropropyl)pyrrolidin-3-yl]acetaldehyde
CID 84663166
2-[1-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl]acetaldehyde
CID 84665896
2-[1-(3,3-Difluorobutyl)pyrrolidin-3-yl]acetaldehyde
CID 84673169
2-[1-(3,3,3-Trifluoropropyl)pyrrolidin-3-yl]acetaldehyde
CID 84676629
2-Fluoro-2-pyrrolidin-3-ylacetaldehyde
CID 105427580
2-(1-Ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde
CID 105431222
2-Fluoro-3-(1-methylpyrrolidin-3-yl)propanal
CID 105431227
2,2-Difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde
CID 105432004

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde?
The IUPAC name of 2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde (CID 105428771) is 2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde.
What is the SMILES notation for 2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde?
The canonical SMILES for 2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde is CN1CCC(C(F)C=O)C1.
What is the InChIKey of 2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde?
The InChIKey is ZJNDAGULLAZAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-9-3-2-6(4-9)7(8)5-10/h5-7H,2-4H2,1H3.
What are the key properties of 2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde?
2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde has a molecular weight of 145.18 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde is sourced from PubChem (CID 105428771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).