3-(fluoromethyl)pyrrolidine-3-carbaldehyde

C6H10FNO — CID 88894890

IUPAC3-(fluoromethyl)pyrrolidine-3-carbaldehyde
SMILESO=CC1(CF)CCNC1
InChIInChI=1S/C6H10FNO/c7-3-6(5-9)1-2-8-4-6/h5,8H,1-4H2
InChIKeyXUZSJUCLVPLCAE-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.13
Rot. Bonds2

About 3-(fluoromethyl)pyrrolidine-3-carbaldehyde

3-(fluoromethyl)pyrrolidine-3-carbaldehyde (PubChem CID 88894890) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 3-(fluoromethyl)pyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name3-(fluoromethyl)pyrrolidine-3-carbaldehyde
PubChem CID88894890
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name3-(fluoromethyl)pyrrolidine-3-carbaldehyde
SMILESO=CC1(CF)CCNC1
InChIInChI=1S/C6H10FNO/c7-3-6(5-9)1-2-8-4-6/h5,8H,1-4H2
InChIKeyXUZSJUCLVPLCAE-UHFFFAOYSA-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 3-(fluoromethyl)pyrrolidine-3-carbaldehyde?
The IUPAC name of 3-(fluoromethyl)pyrrolidine-3-carbaldehyde (CID 88894890) is 3-(fluoromethyl)pyrrolidine-3-carbaldehyde.
What is the SMILES notation for 3-(fluoromethyl)pyrrolidine-3-carbaldehyde?
The canonical SMILES for 3-(fluoromethyl)pyrrolidine-3-carbaldehyde is O=CC1(CF)CCNC1.
What is the InChIKey of 3-(fluoromethyl)pyrrolidine-3-carbaldehyde?
The InChIKey is XUZSJUCLVPLCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-3-6(5-9)1-2-8-4-6/h5,8H,1-4H2.
What are the key properties of 3-(fluoromethyl)pyrrolidine-3-carbaldehyde?
3-(fluoromethyl)pyrrolidine-3-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 3-(fluoromethyl)pyrrolidine-3-carbaldehyde is sourced from PubChem (CID 88894890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).