4,4-difluoropyrrolidine-2-carbaldehyde

C5H7F2NO — CID 18008834

IUPAC4,4-difluoropyrrolidine-2-carbaldehyde
SMILESO=CC1CC(F)(F)CN1
InChIInChI=1S/C5H7F2NO/c6-5(7)1-4(2-9)8-3-5/h2,4,8H,1,3H2
InChIKeyQMVXXBYNRQSGCK-UHFFFAOYSA-N
MW135.11 g/mol
LogP0.18
Rot. Bonds1

About 4,4-difluoropyrrolidine-2-carbaldehyde

4,4-difluoropyrrolidine-2-carbaldehyde (PubChem CID 18008834) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is 4,4-difluoropyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name4,4-difluoropyrrolidine-2-carbaldehyde
PubChem CID18008834
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name4,4-difluoropyrrolidine-2-carbaldehyde
SMILESO=CC1CC(F)(F)CN1
InChIInChI=1S/C5H7F2NO/c6-5(7)1-4(2-9)8-3-5/h2,4,8H,1,3H2
InChIKeyQMVXXBYNRQSGCK-UHFFFAOYSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 50.18
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
(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidin-1-ium-2-carbaldehyde chloride
CID 53878025
(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-Fluoropyrrolidine-2-carbonyl fluoride
CID 60206515

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropyrrolidine-2-carbaldehyde?
The IUPAC name of 4,4-difluoropyrrolidine-2-carbaldehyde (CID 18008834) is 4,4-difluoropyrrolidine-2-carbaldehyde.
What is the SMILES notation for 4,4-difluoropyrrolidine-2-carbaldehyde?
The canonical SMILES for 4,4-difluoropyrrolidine-2-carbaldehyde is O=CC1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoropyrrolidine-2-carbaldehyde?
The InChIKey is QMVXXBYNRQSGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO/c6-5(7)1-4(2-9)8-3-5/h2,4,8H,1,3H2.
What are the key properties of 4,4-difluoropyrrolidine-2-carbaldehyde?
4,4-difluoropyrrolidine-2-carbaldehyde has a molecular weight of 135.11 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropyrrolidine-2-carbaldehyde is sourced from PubChem (CID 18008834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).