(4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde

C6H10FNO — CID 87321173

IUPAC(4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde
SMILESCN1C[C@H](F)CC1C=O
InChIInChI=1S/C6H10FNO/c1-8-3-5(7)2-6(8)4-9/h4-6H,2-3H2,1H3/t5-,6?/m1/s1
InChIKeyYNBVVIYTEYPCPY-LWOQYNTDSA-N
MW131.15 g/mol
LogP0.23
Rot. Bonds1

About (4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde

(4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde (PubChem CID 87321173) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde
PubChem CID87321173
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde
SMILESCN1C[C@H](F)CC1C=O
InChIInChI=1S/C6H10FNO/c1-8-3-5(7)2-6(8)4-9/h4-6H,2-3H2,1H3/t5-,6?/m1/s1
InChIKeyYNBVVIYTEYPCPY-LWOQYNTDSA-N
XLogP0.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.23
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 (4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde?
The IUPAC name of (4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde (CID 87321173) is (4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for (4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde?
The canonical SMILES for (4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde is CN1C[C@H](F)CC1C=O.
What is the InChIKey of (4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde?
The InChIKey is YNBVVIYTEYPCPY-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H10FNO/c1-8-3-5(7)2-6(8)4-9/h4-6H,2-3H2,1H3/t5-,6?/m1/s1.
What are the key properties of (4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde?
(4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde has a molecular weight of 131.15 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-fluoro-1-methylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 87321173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).