2-fluoro-3-pyrrolidin-1-ylpropanal

C7H12FNO — CID 87720505

IUPAC2-fluoro-3-pyrrolidin-1-ylpropanal
SMILESO=CC(F)CN1CCCC1
InChIInChI=1S/C7H12FNO/c8-7(6-10)5-9-3-1-2-4-9/h6-7H,1-5H2
InChIKeyJHVQDIXHFDTEJE-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.62
Rot. Bonds3

About 2-fluoro-3-pyrrolidin-1-ylpropanal

2-fluoro-3-pyrrolidin-1-ylpropanal (PubChem CID 87720505) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-fluoro-3-pyrrolidin-1-ylpropanal.

Molecular Properties

Compound Name2-fluoro-3-pyrrolidin-1-ylpropanal
PubChem CID87720505
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-fluoro-3-pyrrolidin-1-ylpropanal
SMILESO=CC(F)CN1CCCC1
InChIInChI=1S/C7H12FNO/c8-7(6-10)5-9-3-1-2-4-9/h6-7H,1-5H2
InChIKeyJHVQDIXHFDTEJE-UHFFFAOYSA-N
XLogP0.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.62
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

2-fluoro-3-piperidin-1-ylpropan-1-amine
CID 84651060
4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde
CID 3246248
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
CID 64992591
4-methyl-5-piperidin-1-ylpentanal
CID 142529558
N-(2-methyl-3-piperidin-1-ylpropyl)formamide
CID 64992840
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
1-(2-fluorohexyl)pyrrolidine
CID 177054095
3-bromo-4-methyl-2-oxo-5-pyrrolidin-1-ylpentanal
CID 91332581
1-(azonan-1-yl)butan-2-ol
CID 130671766
1-(2-chloropropyl)pyrrolidine
CID 3020097

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-pyrrolidin-1-ylpropanal?
The IUPAC name of 2-fluoro-3-pyrrolidin-1-ylpropanal (CID 87720505) is 2-fluoro-3-pyrrolidin-1-ylpropanal.
What is the SMILES notation for 2-fluoro-3-pyrrolidin-1-ylpropanal?
The canonical SMILES for 2-fluoro-3-pyrrolidin-1-ylpropanal is O=CC(F)CN1CCCC1.
What is the InChIKey of 2-fluoro-3-pyrrolidin-1-ylpropanal?
The InChIKey is JHVQDIXHFDTEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-7(6-10)5-9-3-1-2-4-9/h6-7H,1-5H2.
What are the key properties of 2-fluoro-3-pyrrolidin-1-ylpropanal?
2-fluoro-3-pyrrolidin-1-ylpropanal has a molecular weight of 145.18 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-pyrrolidin-1-ylpropanal is sourced from PubChem (CID 87720505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).