[2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol

C8H14F3NO2 — CID 106706508

IUPAC[2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol
SMILESOCC1(COCC(F)(F)F)CCCN1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)6-14-5-7(4-13)2-1-3-12-7/h12-13H,1-6H2
InChIKeyJAVLBHOSBCCGRN-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.68
Rot. Bonds4

About [2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol

[2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol (PubChem CID 106706508) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol
PubChem CID106706508
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name[2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol
SMILESOCC1(COCC(F)(F)F)CCCN1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)6-14-5-7(4-13)2-1-3-12-7/h12-13H,1-6H2
InChIKeyJAVLBHOSBCCGRN-UHFFFAOYSA-N
XLogP0.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol (CID 106706508) is [2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol is OCC1(COCC(F)(F)F)CCCN1.
What is the InChIKey of [2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol?
The InChIKey is JAVLBHOSBCCGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)6-14-5-7(4-13)2-1-3-12-7/h12-13H,1-6H2.
What are the key properties of [2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol?
[2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol has a molecular weight of 213.20 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 106706508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).