[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol

C9H16F3NO2 — CID 62272066

IUPAC[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
SMILESCN(CC(F)(F)F)CC1(CO)CCOC1
InChIInChI=1S/C9H16F3NO2/c1-13(5-9(10,11)12)4-8(6-14)2-3-15-7-8/h14H,2-7H2,1H3
InChIKeyGZZNPRRRHGGMQO-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.88
Rot. Bonds4

About [3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol

[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol (PubChem CID 62272066) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is [3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
PubChem CID62272066
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
SMILESCN(CC(F)(F)F)CC1(CO)CCOC1
InChIInChI=1S/C9H16F3NO2/c1-13(5-9(10,11)12)4-8(6-14)2-3-15-7-8/h14H,2-7H2,1H3
InChIKeyGZZNPRRRHGGMQO-UHFFFAOYSA-N
XLogP0.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol (CID 62272066) is [3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol is CN(CC(F)(F)F)CC1(CO)CCOC1.
What is the InChIKey of [3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol?
The InChIKey is GZZNPRRRHGGMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-13(5-9(10,11)12)4-8(6-14)2-3-15-7-8/h14H,2-7H2,1H3.
What are the key properties of [3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol?
[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol has a molecular weight of 227.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 62272066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).