2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde

C10H17F2NO — CID 174913656

IUPAC2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde
SMILESCC(C)CN1CC(F)(F)CC1CC=O
InChIInChI=1S/C10H17F2NO/c1-8(2)6-13-7-10(11,12)5-9(13)3-4-14/h4,8-9H,3,5-7H2,1-2H3
InChIKeyCIBUPDPDQBDLFL-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.94
Rot. Bonds4

About 2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde

2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde (PubChem CID 174913656) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde
PubChem CID174913656
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde
SMILESCC(C)CN1CC(F)(F)CC1CC=O
InChIInChI=1S/C10H17F2NO/c1-8(2)6-13-7-10(11,12)5-9(13)3-4-14/h4,8-9H,3,5-7H2,1-2H3
InChIKeyCIBUPDPDQBDLFL-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde?
The IUPAC name of 2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde (CID 174913656) is 2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde.
What is the SMILES notation for 2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde?
The canonical SMILES for 2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde is CC(C)CN1CC(F)(F)CC1CC=O.
What is the InChIKey of 2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde?
The InChIKey is CIBUPDPDQBDLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-8(2)6-13-7-10(11,12)5-9(13)3-4-14/h4,8-9H,3,5-7H2,1-2H3.
What are the key properties of 2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde?
2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde has a molecular weight of 205.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde is sourced from PubChem (CID 174913656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).