2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol

C10H18F3NO2 — CID 104752972

IUPAC2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCN(CCC(F)(F)F)CC(O)C1CCOC1
InChIInChI=1S/C10H18F3NO2/c1-14(4-3-10(11,12)13)6-9(15)8-2-5-16-7-8/h8-9,15H,2-7H2,1H3
InChIKeyLDJPLNZMMNNHQX-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.27
Rot. Bonds5

About 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol

2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol (PubChem CID 104752972) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol
PubChem CID104752972
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCN(CCC(F)(F)F)CC(O)C1CCOC1
InChIInChI=1S/C10H18F3NO2/c1-14(4-3-10(11,12)13)6-9(15)8-2-5-16-7-8/h8-9,15H,2-7H2,1H3
InChIKeyLDJPLNZMMNNHQX-UHFFFAOYSA-N
XLogP1.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol (CID 104752972) is 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol is CN(CCC(F)(F)F)CC(O)C1CCOC1.
What is the InChIKey of 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol?
The InChIKey is LDJPLNZMMNNHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-14(4-3-10(11,12)13)6-9(15)8-2-5-16-7-8/h8-9,15H,2-7H2,1H3.
What are the key properties of 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol?
2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol has a molecular weight of 241.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104752972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).