2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde

C8H14FNO — CID 105431222

IUPAC2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde
SMILESCCN1CCC(C(F)C=O)C1
InChIInChI=1S/C8H14FNO/c1-2-10-4-3-7(5-10)8(9)6-11/h6-8H,2-5H2,1H3
InChIKeyJQVVCXMYSCKSMN-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.87
Rot. Bonds3

About 2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde

2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde (PubChem CID 105431222) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde
PubChem CID105431222
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde
SMILESCCN1CCC(C(F)C=O)C1
InChIInChI=1S/C8H14FNO/c1-2-10-4-3-7(5-10)8(9)6-11/h6-8H,2-5H2,1H3
InChIKeyJQVVCXMYSCKSMN-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.87
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
2-Fluoro-2-(1-methylpiperidin-4-yl)acetaldehyde
CID 55266596
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-(1-methylpyrrolidin-3-yl)acetaldehyde
CID 105428771
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-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde?
The IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde (CID 105431222) is 2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde.
What is the SMILES notation for 2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde?
The canonical SMILES for 2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde is CCN1CCC(C(F)C=O)C1.
What is the InChIKey of 2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde?
The InChIKey is JQVVCXMYSCKSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-2-10-4-3-7(5-10)8(9)6-11/h6-8H,2-5H2,1H3.
What are the key properties of 2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde?
2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde has a molecular weight of 159.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde is sourced from PubChem (CID 105431222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).