(2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde

C10H16FNO2 — CID 130192345

IUPAC(2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde
SMILESCC(C)C(=O)N1C[C@@H](F)[C@@H](C)[C@H]1C=O
InChIInChI=1S/C10H16FNO2/c1-6(2)10(14)12-4-8(11)7(3)9(12)5-13/h5-9H,4H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyATZHGQNXLZKQJF-IWSPIJDZSA-N
MW201.24 g/mol
LogP1.03
Rot. Bonds2

About (2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde

(2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde (PubChem CID 130192345) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is (2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde
PubChem CID130192345
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name(2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde
SMILESCC(C)C(=O)N1C[C@@H](F)[C@@H](C)[C@H]1C=O
InChIInChI=1S/C10H16FNO2/c1-6(2)10(14)12-4-8(11)7(3)9(12)5-13/h5-9H,4H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyATZHGQNXLZKQJF-IWSPIJDZSA-N
XLogP1.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.03
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 (2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde (CID 130192345) is (2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde is CC(C)C(=O)N1C[C@@H](F)[C@@H](C)[C@H]1C=O.
What is the InChIKey of (2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde?
The InChIKey is ATZHGQNXLZKQJF-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-6(2)10(14)12-4-8(11)7(3)9(12)5-13/h5-9H,4H2,1-3H3/t7-,8-,9-/m1/s1.
What are the key properties of (2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde?
(2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde has a molecular weight of 201.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 130192345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).