4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

C10H19F3N2O — CID 66236724

IUPAC4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCC(C)N(CC1COCC1N)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7(2)15(6-10(11,12)13)3-8-4-16-5-9(8)14/h7-9H,3-6,14H2,1-2H3
InChIKeyKOXFMKIIIDUZKB-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.23
Rot. Bonds4

About 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (PubChem CID 66236724) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
PubChem CID66236724
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCC(C)N(CC1COCC1N)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7(2)15(6-10(11,12)13)3-8-4-16-5-9(8)14/h7-9H,3-6,14H2,1-2H3
InChIKeyKOXFMKIIIDUZKB-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (CID 66236724) is 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is CC(C)N(CC1COCC1N)CC(F)(F)F.
What is the InChIKey of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The InChIKey is KOXFMKIIIDUZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-7(2)15(6-10(11,12)13)3-8-4-16-5-9(8)14/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine has a molecular weight of 240.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66236724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).