[4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol

C16H30F2N2O3 — CID 166984323

IUPAC[4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol
SMILESCOCCN1CC(OCC2CC(F)CN2CCCF)CC1CO
InChIInChI=1S/C16H30F2N2O3/c1-22-6-5-20-10-16(8-14(20)11-21)23-12-15-7-13(18)9-19(15)4-2-3-17/h13-16,21H,2-12H2,1H3
InChIKeyPTPIFCZUZPETRD-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.86
Rot. Bonds10

About [4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol

[4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol (PubChem CID 166984323) has the molecular formula C16H30F2N2O3 and a molecular weight of 336.42 g/mol. Its IUPAC name is [4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol
PubChem CID166984323
Molecular FormulaC16H30F2N2O3
Molecular Weight336.42 g/mol
Exact Mass336.22
IUPAC Name[4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol
SMILESCOCCN1CC(OCC2CC(F)CN2CCCF)CC1CO
InChIInChI=1S/C16H30F2N2O3/c1-22-6-5-20-10-16(8-14(20)11-21)23-12-15-7-13(18)9-19(15)4-2-3-17/h13-16,21H,2-12H2,1H3
InChIKeyPTPIFCZUZPETRD-UHFFFAOYSA-N
XLogP0.86
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol 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

4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
CID 163972119
2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine
CID 58530382
(2S,4S)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 131036688
2-(hydroxymethyl)-4-(3-methoxypropoxy)pyrrolidine-1-carboxylic acid
CID 118497241
[(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol
CID 156651627
[(2S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-fluoropyrrolidin-2-yl]methanol
CID 128983256
(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995610
[(2S,4S)-4-fluoro-1-[4-(2-methoxyethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 128977236
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
(2R,3R,4S,5R)-2-(hydroxymethyl)-1-(9-methoxynonyl)piperidine-3,4,5-triol
CID 132608579
(3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 99995450
(3R,5S)-1-hexadecyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 156737514

Frequently Asked Questions

What is the IUPAC name of [4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol (CID 166984323) is [4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol is COCCN1CC(OCC2CC(F)CN2CCCF)CC1CO.
What is the InChIKey of [4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol?
The InChIKey is PTPIFCZUZPETRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2O3/c1-22-6-5-20-10-16(8-14(20)11-21)23-12-15-7-13(18)9-19(15)4-2-3-17/h13-16,21H,2-12H2,1H3.
What are the key properties of [4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol?
[4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol has a molecular weight of 336.42 g/mol, XLogP of 0.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 166984323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).