4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde

C7H12FNO — CID 163822773

IUPAC4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde
SMILESCC1CC(C)(F)CN1C=O
InChIInChI=1S/C7H12FNO/c1-6-3-7(2,8)4-9(6)5-10/h5-6H,3-4H2,1-2H3
InChIKeyNWVIEIIDTUNOPS-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.97
Rot. Bonds1

About 4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde

4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde (PubChem CID 163822773) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde
PubChem CID163822773
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde
SMILESCC1CC(C)(F)CN1C=O
InChIInChI=1S/C7H12FNO/c1-6-3-7(2,8)4-9(6)5-10/h5-6H,3-4H2,1-2H3
InChIKeyNWVIEIIDTUNOPS-UHFFFAOYSA-N
XLogP0.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde?
The IUPAC name of 4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde (CID 163822773) is 4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde.
What is the SMILES notation for 4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde?
The canonical SMILES for 4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde is CC1CC(C)(F)CN1C=O.
What is the InChIKey of 4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde?
The InChIKey is NWVIEIIDTUNOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-6-3-7(2,8)4-9(6)5-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde?
4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde has a molecular weight of 145.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,4-dimethylpyrrolidine-1-carbaldehyde is sourced from PubChem (CID 163822773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).