4-fluoro-3-methylpyrrolidine-2-carbaldehyde

C6H10FNO — CID 144826238

IUPAC4-fluoro-3-methylpyrrolidine-2-carbaldehyde
SMILESCC1C(F)CNC1C=O
InChIInChI=1S/C6H10FNO/c1-4-5(7)2-8-6(4)3-9/h3-6,8H,2H2,1H3
InChIKeyFBCDGUZNCLHQPY-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.13
Rot. Bonds1

About 4-fluoro-3-methylpyrrolidine-2-carbaldehyde

4-fluoro-3-methylpyrrolidine-2-carbaldehyde (PubChem CID 144826238) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 4-fluoro-3-methylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-3-methylpyrrolidine-2-carbaldehyde
PubChem CID144826238
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name4-fluoro-3-methylpyrrolidine-2-carbaldehyde
SMILESCC1C(F)CNC1C=O
InChIInChI=1S/C6H10FNO/c1-4-5(7)2-8-6(4)3-9/h3-6,8H,2H2,1H3
InChIKeyFBCDGUZNCLHQPY-UHFFFAOYSA-N
XLogP0.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.13
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

(2R)-pyrrolidine-2-carbaldehyde
CID 11205722
Prolinyl
CID 445997
Pyrrolidine-2-carbaldehyde
CID 3323161
4-Fluoropyrrolidine-2-carbaldehyde
CID 23091795
4,4-Difluoropyrrolidine-2-carbaldehyde
CID 18008834
(2S)-4-fluoropyrrolidine-2-carbaldehyde
CID 54010470
(2S,4R)-4-fluoropyrrolidine-2-carbaldehyde
CID 54010471
(2S,4S)-4-fluoropyrrolidine-2-carbaldehyde
CID 54010472
(2S)-4,4-difluoropyrrolidine-2-carbaldehyde
CID 54487023
(R)-4,4-Difluoropyrrolidine-2-carbaldehyde
CID 57010930
(2R)-4-fluoropyrrolidine-2-carbaldehyde
CID 57137141
4,5-Difluoropyrrolidine-2-carbaldehyde
CID 87229574

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methylpyrrolidine-2-carbaldehyde?
The IUPAC name of 4-fluoro-3-methylpyrrolidine-2-carbaldehyde (CID 144826238) is 4-fluoro-3-methylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for 4-fluoro-3-methylpyrrolidine-2-carbaldehyde?
The canonical SMILES for 4-fluoro-3-methylpyrrolidine-2-carbaldehyde is CC1C(F)CNC1C=O.
What is the InChIKey of 4-fluoro-3-methylpyrrolidine-2-carbaldehyde?
The InChIKey is FBCDGUZNCLHQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-4-5(7)2-8-6(4)3-9/h3-6,8H,2H2,1H3.
What are the key properties of 4-fluoro-3-methylpyrrolidine-2-carbaldehyde?
4-fluoro-3-methylpyrrolidine-2-carbaldehyde has a molecular weight of 131.15 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 144826238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).