1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine

C19H37F2NO — CID 58341583

IUPAC1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine
SMILESCC(F)(F)COCCCCCCCCCCCCN1CCCC1
InChIInChI=1S/C19H37F2NO/c1-19(20,21)18-23-17-13-9-7-5-3-2-4-6-8-10-14-22-15-11-12-16-22/h2-18H2,1H3
InChIKeyDRBDNFQDVRAQFL-UHFFFAOYSA-N
MW333.51 g/mol
LogP5.66
Rot. Bonds15

About 1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine

1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine (PubChem CID 58341583) has the molecular formula C19H37F2NO and a molecular weight of 333.51 g/mol. Its IUPAC name is 1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine.

Molecular Properties

Compound Name1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine
PubChem CID58341583
Molecular FormulaC19H37F2NO
Molecular Weight333.51 g/mol
Exact Mass333.28
IUPAC Name1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine
SMILESCC(F)(F)COCCCCCCCCCCCCN1CCCC1
InChIInChI=1S/C19H37F2NO/c1-19(20,21)18-23-17-13-9-7-5-3-2-4-6-8-10-14-22-15-11-12-16-22/h2-18H2,1H3
InChIKeyDRBDNFQDVRAQFL-UHFFFAOYSA-N
XLogP5.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.51
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

1-[8-(2,2-Difluoropropoxy)octyl]piperidine
CID 58341552
1-[12-(2,2-Difluoropropoxy)dodecyl]piperidine
CID 58341553
1-[8-(2,2-Difluoropropoxy)octyl]pyrrolidine
CID 58341564
12-Pyrrolidin-1-yldodecyl 2,2-difluoropropanoate
CID 58341569
N-ethyl-N-methyl-7-(trifluoromethoxy)heptan-1-amine
CID 172335841
Tributyl(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecoxymethyl)azanium
CID 159725912
1-Methyl-1-(3-octadecoxypropyl)pyrrolidin-1-ium iodide
CID 19965812
1-Methyl-1-(3-octadecoxypropyl)pyrrolidin-1-ium
CID 19965813
1-[12-(2,2-Dimethylpropoxy)dodecyl]pyrrolidine
CID 58341601
1-[8-(2,2-Dimethylpropoxy)octyl]pyrrolidine
CID 58341606
2-Hexadecoxy-1-methylpyrrolidine
CID 141619925
1-(Decoxymethyl)-1-decylpyrrolidin-1-ium
CID 151541315

Frequently Asked Questions

What is the IUPAC name of 1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine?
The IUPAC name of 1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine (CID 58341583) is 1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine.
What is the SMILES notation for 1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine?
The canonical SMILES for 1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine is CC(F)(F)COCCCCCCCCCCCCN1CCCC1.
What is the InChIKey of 1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine?
The InChIKey is DRBDNFQDVRAQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37F2NO/c1-19(20,21)18-23-17-13-9-7-5-3-2-4-6-8-10-14-22-15-11-12-16-22/h2-18H2,1H3.
What are the key properties of 1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine?
1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine has a molecular weight of 333.51 g/mol, XLogP of 5.66, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[12-(2,2-difluoropropoxy)dodecyl]pyrrolidine is sourced from PubChem (CID 58341583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).