2-fluoro-3-pyrrolidin-3-ylpropanal

C7H12FNO — CID 105428766

IUPAC2-fluoro-3-pyrrolidin-3-ylpropanal
SMILESO=CC(F)CC1CCNC1
InChIInChI=1S/C7H12FNO/c8-7(5-10)3-6-1-2-9-4-6/h5-7,9H,1-4H2
InChIKeyRHLYRCCOZLBFST-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.52
Rot. Bonds3

About 2-fluoro-3-pyrrolidin-3-ylpropanal

2-fluoro-3-pyrrolidin-3-ylpropanal (PubChem CID 105428766) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-fluoro-3-pyrrolidin-3-ylpropanal.

Molecular Properties

Compound Name2-fluoro-3-pyrrolidin-3-ylpropanal
PubChem CID105428766
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-fluoro-3-pyrrolidin-3-ylpropanal
SMILESO=CC(F)CC1CCNC1
InChIInChI=1S/C7H12FNO/c8-7(5-10)3-6-1-2-9-4-6/h5-7,9H,1-4H2
InChIKeyRHLYRCCOZLBFST-UHFFFAOYSA-N
XLogP0.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.52
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

N,N-diethyl-1-pyrrolidin-3-ylpropan-2-amine
CID 105441385
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485073
(Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol
CID 143018358
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
(3R)-3-(1-fluoroethoxymethyl)pyrrolidine
CID 177026365
2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride
CID 155858423
3-(pyrrolidin-3-ylmethyl)but-3-enal
CID 117268348
2-amino-3-piperidin-4-ylpropanal
CID 22642524
1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
CID 116936082
3-[(2R)-2-ethylbut-3-enyl]pyrrolidine
CID 155323727

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-pyrrolidin-3-ylpropanal?
The IUPAC name of 2-fluoro-3-pyrrolidin-3-ylpropanal (CID 105428766) is 2-fluoro-3-pyrrolidin-3-ylpropanal.
What is the SMILES notation for 2-fluoro-3-pyrrolidin-3-ylpropanal?
The canonical SMILES for 2-fluoro-3-pyrrolidin-3-ylpropanal is O=CC(F)CC1CCNC1.
What is the InChIKey of 2-fluoro-3-pyrrolidin-3-ylpropanal?
The InChIKey is RHLYRCCOZLBFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-7(5-10)3-6-1-2-9-4-6/h5-7,9H,1-4H2.
What are the key properties of 2-fluoro-3-pyrrolidin-3-ylpropanal?
2-fluoro-3-pyrrolidin-3-ylpropanal has a molecular weight of 145.18 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-pyrrolidin-3-ylpropanal is sourced from PubChem (CID 105428766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).