3-(3-fluoropyrrolidin-1-yl)propanal

C7H12FNO — CID 175934650

IUPAC3-(3-fluoropyrrolidin-1-yl)propanal
SMILESO=CCCN1CCC(F)C1
InChIInChI=1S/C7H12FNO/c8-7-2-4-9(6-7)3-1-5-10/h5,7H,1-4,6H2
InChIKeyNXQUTQOCPABGFR-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.62
Rot. Bonds3

About 3-(3-fluoropyrrolidin-1-yl)propanal

3-(3-fluoropyrrolidin-1-yl)propanal (PubChem CID 175934650) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-(3-fluoropyrrolidin-1-yl)propanal.

Molecular Properties

Compound Name3-(3-fluoropyrrolidin-1-yl)propanal
PubChem CID175934650
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name3-(3-fluoropyrrolidin-1-yl)propanal
SMILESO=CCCN1CCC(F)C1
InChIInChI=1S/C7H12FNO/c8-7-2-4-9(6-7)3-1-5-10/h5,7H,1-4,6H2
InChIKeyNXQUTQOCPABGFR-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropyrrolidin-1-yl)propanal?
The IUPAC name of 3-(3-fluoropyrrolidin-1-yl)propanal (CID 175934650) is 3-(3-fluoropyrrolidin-1-yl)propanal.
What is the SMILES notation for 3-(3-fluoropyrrolidin-1-yl)propanal?
The canonical SMILES for 3-(3-fluoropyrrolidin-1-yl)propanal is O=CCCN1CCC(F)C1.
What is the InChIKey of 3-(3-fluoropyrrolidin-1-yl)propanal?
The InChIKey is NXQUTQOCPABGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-7-2-4-9(6-7)3-1-5-10/h5,7H,1-4,6H2.
What are the key properties of 3-(3-fluoropyrrolidin-1-yl)propanal?
3-(3-fluoropyrrolidin-1-yl)propanal 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 3-(3-fluoropyrrolidin-1-yl)propanal is sourced from PubChem (CID 175934650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).