1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol

C11H18F3NO3 — CID 112737954

IUPAC1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESOCC1(CN2CCC(O)(C(F)(F)F)C2)CCOC1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)10(17)1-3-15(6-10)5-9(7-16)2-4-18-8-9/h16-17H,1-8H2
InChIKeyGXNNWBDZKMSFKX-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.38
Rot. Bonds3

About 1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol

1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 112737954) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID112737954
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESOCC1(CN2CCC(O)(C(F)(F)F)C2)CCOC1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)10(17)1-3-15(6-10)5-9(7-16)2-4-18-8-9/h16-17H,1-8H2
InChIKeyGXNNWBDZKMSFKX-UHFFFAOYSA-N
XLogP0.38
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol (CID 112737954) is 1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol is OCC1(CN2CCC(O)(C(F)(F)F)C2)CCOC1.
What is the InChIKey of 1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is GXNNWBDZKMSFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)10(17)1-3-15(6-10)5-9(7-16)2-4-18-8-9/h16-17H,1-8H2.
What are the key properties of 1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 269.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 112737954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).