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

C9H16FNO — CID 105435535

IUPAC2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
SMILESCC(C)N1CCC(C(F)C=O)C1
InChIInChI=1S/C9H16FNO/c1-7(2)11-4-3-8(5-11)9(10)6-12/h6-9H,3-5H2,1-2H3
InChIKeyYWKFTUCISVDNFJ-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.25
Rot. Bonds3

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

2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde (PubChem CID 105435535) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
PubChem CID105435535
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
SMILESCC(C)N1CCC(C(F)C=O)C1
InChIInChI=1S/C9H16FNO/c1-7(2)11-4-3-8(5-11)9(10)6-12/h6-9H,3-5H2,1-2H3
InChIKeyYWKFTUCISVDNFJ-UHFFFAOYSA-N
XLogP1.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.25
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

(2S)-1-(3-fluoropentan-2-yl)pyrrolidine-2-carbaldehyde
CID 118198763
(2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde
CID 130192345
(2S,4R)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde
CID 137409518
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-(1-Ethylpyrrolidin-3-yl)-2-fluoroacetaldehyde
CID 105431222
2-Fluoro-3-(1-methylpyrrolidin-3-yl)propanal
CID 105431227

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde?
The IUPAC name of 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde (CID 105435535) is 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde.
What is the SMILES notation for 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde?
The canonical SMILES for 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde is CC(C)N1CCC(C(F)C=O)C1.
What is the InChIKey of 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde?
The InChIKey is YWKFTUCISVDNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(2)11-4-3-8(5-11)9(10)6-12/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde?
2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde has a molecular weight of 173.23 g/mol, XLogP of 1.25, 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-ylpyrrolidin-3-yl)acetaldehyde is sourced from PubChem (CID 105435535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).