2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal

C8H14FNO — CID 146225321

IUPAC2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal
SMILESCC(C)(C=O)N1CC[C@@H](F)C1
InChIInChI=1S/C8H14FNO/c1-8(2,6-11)10-4-3-7(9)5-10/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyJJNWGGMLZDFNFJ-SSDOTTSWSA-N
MW159.20 g/mol
LogP1.01
Rot. Bonds2

About 2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal

2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal (PubChem CID 146225321) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal.

Molecular Properties

Compound Name2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal
PubChem CID146225321
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal
SMILESCC(C)(C=O)N1CC[C@@H](F)C1
InChIInChI=1S/C8H14FNO/c1-8(2,6-11)10-4-3-7(9)5-10/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyJJNWGGMLZDFNFJ-SSDOTTSWSA-N
XLogP1.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.01
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 2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal?
The IUPAC name of 2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal (CID 146225321) is 2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal.
What is the SMILES notation for 2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal?
The canonical SMILES for 2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal is CC(C)(C=O)N1CC[C@@H](F)C1.
What is the InChIKey of 2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal?
The InChIKey is JJNWGGMLZDFNFJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14FNO/c1-8(2,6-11)10-4-3-7(9)5-10/h6-7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal?
2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal has a molecular weight of 159.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal is sourced from PubChem (CID 146225321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).