2-fluoro-2-pyrrolidin-3-ylacetaldehyde

C6H10FNO — CID 105427580

IUPAC2-fluoro-2-pyrrolidin-3-ylacetaldehyde
SMILESO=CC(F)C1CCNC1
InChIInChI=1S/C6H10FNO/c7-6(4-9)5-1-2-8-3-5/h4-6,8H,1-3H2
InChIKeyDVJKPJUKTBMGEN-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.13
Rot. Bonds2

About 2-fluoro-2-pyrrolidin-3-ylacetaldehyde

2-fluoro-2-pyrrolidin-3-ylacetaldehyde (PubChem CID 105427580) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 2-fluoro-2-pyrrolidin-3-ylacetaldehyde.

Molecular Properties

Compound Name2-fluoro-2-pyrrolidin-3-ylacetaldehyde
PubChem CID105427580
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name2-fluoro-2-pyrrolidin-3-ylacetaldehyde
SMILESO=CC(F)C1CCNC1
InChIInChI=1S/C6H10FNO/c7-6(4-9)5-1-2-8-3-5/h4-6,8H,1-3H2
InChIKeyDVJKPJUKTBMGEN-UHFFFAOYSA-N
XLogP0.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde
CID 89173879
3-Fluoropyrrolidine-3-carbaldehyde
CID 89379154
(3S,4R)-4-fluoropyrrolidine-3-carbaldehyde
CID 141430830
2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide
CID 153395201
2-Fluoro-3-pyrrolidin-3-ylpropanal
CID 105428766
2-Fluoro-2-piperidin-4-ylacetaldehyde
CID 105428769
2-Fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde
CID 105428771
2,2-Difluoro-2-pyrrolidin-3-ylacetaldehyde
CID 105429249
2,2-Difluoro-3-pyrrolidin-3-ylpropanal
CID 105431999
2-Fluoro-2-pyrrolidin-3-ylacetamide
CID 115011682
4-Fluoro-3-methylpyrrolidine-2-carbaldehyde
CID 144826238
4-(Fluoromethyl)pyrrolidine-2-carbaldehyde
CID 156837619

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-pyrrolidin-3-ylacetaldehyde?
The IUPAC name of 2-fluoro-2-pyrrolidin-3-ylacetaldehyde (CID 105427580) is 2-fluoro-2-pyrrolidin-3-ylacetaldehyde.
What is the SMILES notation for 2-fluoro-2-pyrrolidin-3-ylacetaldehyde?
The canonical SMILES for 2-fluoro-2-pyrrolidin-3-ylacetaldehyde is O=CC(F)C1CCNC1.
What is the InChIKey of 2-fluoro-2-pyrrolidin-3-ylacetaldehyde?
The InChIKey is DVJKPJUKTBMGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-6(4-9)5-1-2-8-3-5/h4-6,8H,1-3H2.
What are the key properties of 2-fluoro-2-pyrrolidin-3-ylacetaldehyde?
2-fluoro-2-pyrrolidin-3-ylacetaldehyde has a molecular weight of 131.15 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-pyrrolidin-3-ylacetaldehyde is sourced from PubChem (CID 105427580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).