(2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde

C6H10FNO — CID 89173879

IUPAC(2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde
SMILESO=C[C@@H]1C[C@@H](CF)CN1
InChIInChI=1S/C6H10FNO/c7-2-5-1-6(4-9)8-3-5/h4-6,8H,1-3H2/t5-,6-/m0/s1
InChIKeyBPSVJEOPZPHARC-WDSKDSINSA-N
MW131.15 g/mol
LogP0.13
Rot. Bonds2

About (2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde

(2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde (PubChem CID 89173879) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde
PubChem CID89173879
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde
SMILESO=C[C@@H]1C[C@@H](CF)CN1
InChIInChI=1S/C6H10FNO/c7-2-5-1-6(4-9)8-3-5/h4-6,8H,1-3H2/t5-,6-/m0/s1
InChIKeyBPSVJEOPZPHARC-WDSKDSINSA-N
XLogP0.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde (CID 89173879) is (2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde is O=C[C@@H]1C[C@@H](CF)CN1.
What is the InChIKey of (2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde?
The InChIKey is BPSVJEOPZPHARC-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10FNO/c7-2-5-1-6(4-9)8-3-5/h4-6,8H,1-3H2/t5-,6-/m0/s1.
What are the key properties of (2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde?
(2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde has a molecular weight of 131.15 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(fluoromethyl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 89173879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).