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

C17H32F2N2O2 — CID 166984359

IUPAC[1-(3-fluoropropyl)-4-[[1-(3-fluoropropyl)-2-methylpyrrolidin-2-yl]methoxy]pyrrolidin-2-yl]methanol
SMILESCC1(COC2CC(CO)N(CCCF)C2)CCCN1CCCF
InChIInChI=1S/C17H32F2N2O2/c1-17(5-2-9-21(17)10-4-7-19)14-23-16-11-15(13-22)20(12-16)8-3-6-18/h15-16,22H,2-14H2,1H3
InChIKeyXOOHXSIPZLYQSA-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.01
Rot. Bonds10

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

[1-(3-fluoropropyl)-4-[[1-(3-fluoropropyl)-2-methylpyrrolidin-2-yl]methoxy]pyrrolidin-2-yl]methanol (PubChem CID 166984359) has the molecular formula C17H32F2N2O2 and a molecular weight of 334.45 g/mol. Its IUPAC name is [1-(3-fluoropropyl)-4-[[1-(3-fluoropropyl)-2-methylpyrrolidin-2-yl]methoxy]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluoropropyl)-4-[[1-(3-fluoropropyl)-2-methylpyrrolidin-2-yl]methoxy]pyrrolidin-2-yl]methanol
PubChem CID166984359
Molecular FormulaC17H32F2N2O2
Molecular Weight334.45 g/mol
Exact Mass334.24
IUPAC Name[1-(3-fluoropropyl)-4-[[1-(3-fluoropropyl)-2-methylpyrrolidin-2-yl]methoxy]pyrrolidin-2-yl]methanol
SMILESCC1(COC2CC(CO)N(CCCF)C2)CCCN1CCCF
InChIInChI=1S/C17H32F2N2O2/c1-17(5-2-9-21(17)10-4-7-19)14-23-16-11-15(13-22)20(12-16)8-3-6-18/h15-16,22H,2-14H2,1H3
InChIKeyXOOHXSIPZLYQSA-UHFFFAOYSA-N
XLogP2.01
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoropropyl)-4-[[1-(3-fluoropropyl)-2-methylpyrrolidin-2-yl]methoxy]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-fluoropropyl)-4-[[1-(3-fluoropropyl)-2-methylpyrrolidin-2-yl]methoxy]pyrrolidin-2-yl]methanol (CID 166984359) is [1-(3-fluoropropyl)-4-[[1-(3-fluoropropyl)-2-methylpyrrolidin-2-yl]methoxy]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-fluoropropyl)-4-[[1-(3-fluoropropyl)-2-methylpyrrolidin-2-yl]methoxy]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-fluoropropyl)-4-[[1-(3-fluoropropyl)-2-methylpyrrolidin-2-yl]methoxy]pyrrolidin-2-yl]methanol is CC1(COC2CC(CO)N(CCCF)C2)CCCN1CCCF.
What is the InChIKey of [1-(3-fluoropropyl)-4-[[1-(3-fluoropropyl)-2-methylpyrrolidin-2-yl]methoxy]pyrrolidin-2-yl]methanol?
The InChIKey is XOOHXSIPZLYQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N2O2/c1-17(5-2-9-21(17)10-4-7-19)14-23-16-11-15(13-22)20(12-16)8-3-6-18/h15-16,22H,2-14H2,1H3.
What are the key properties of [1-(3-fluoropropyl)-4-[[1-(3-fluoropropyl)-2-methylpyrrolidin-2-yl]methoxy]pyrrolidin-2-yl]methanol?
[1-(3-fluoropropyl)-4-[[1-(3-fluoropropyl)-2-methylpyrrolidin-2-yl]methoxy]pyrrolidin-2-yl]methanol has a molecular weight of 334.45 g/mol, XLogP of 2.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoropropyl)-4-[[1-(3-fluoropropyl)-2-methylpyrrolidin-2-yl]methoxy]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 166984359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).