2-(difluoromethyl)pyrrolidine-1-carbaldehyde

C6H9F2NO — CID 143474201

IUPAC2-(difluoromethyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1C(F)F
InChIInChI=1S/C6H9F2NO/c7-6(8)5-2-1-3-9(5)4-10/h4-6H,1-3H2
InChIKeyOJEXVNDWDZEIJP-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.87
Rot. Bonds2

About 2-(difluoromethyl)pyrrolidine-1-carbaldehyde

2-(difluoromethyl)pyrrolidine-1-carbaldehyde (PubChem CID 143474201) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 2-(difluoromethyl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)pyrrolidine-1-carbaldehyde
PubChem CID143474201
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name2-(difluoromethyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1C(F)F
InChIInChI=1S/C6H9F2NO/c7-6(8)5-2-1-3-9(5)4-10/h4-6H,1-3H2
InChIKeyOJEXVNDWDZEIJP-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,2,2-Trifluoro-1-(2-methylpyrrolidin-1-yl)ethanone
CID 21355182
3,3-Difluoropyrrolidine-1-carbaldehyde
CID 57455265
1-[2-(Trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 68027505
2-(Trifluoromethyl)pyrrolidine-1-carbaldehyde
CID 87727190
2-(Trifluoromethyl)pyrrolidine-1-carbonyl chloride
CID 88541375
1-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 89583874
1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]ethanone
CID 89681966
2,2-Difluoropyrrolidine-1-carbaldehyde
CID 90999327
1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 130693743
4,4-Difluoro-2-methylpyrrolidine-1-carbaldehyde
CID 132077029
(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl iodide
CID 132238496
4-Fluoro-2-methylpyrrolidine-1-carbaldehyde
CID 134570954

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)pyrrolidine-1-carbaldehyde (CID 143474201) is 2-(difluoromethyl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)pyrrolidine-1-carbaldehyde is O=CN1CCCC1C(F)F.
What is the InChIKey of 2-(difluoromethyl)pyrrolidine-1-carbaldehyde?
The InChIKey is OJEXVNDWDZEIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)5-2-1-3-9(5)4-10/h4-6H,1-3H2.
What are the key properties of 2-(difluoromethyl)pyrrolidine-1-carbaldehyde?
2-(difluoromethyl)pyrrolidine-1-carbaldehyde has a molecular weight of 149.14 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 143474201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).