N-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C11H20F3NO2 — CID 104748285

IUPACN-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1CCOC1
InChIInChI=1S/C11H20F3NO2/c1-2-4-15-10(9-3-5-16-6-9)7-17-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyANTVMSFEDORSTM-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.97
Rot. Bonds7

About N-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 104748285) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID104748285
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1CCOC1
InChIInChI=1S/C11H20F3NO2/c1-2-4-15-10(9-3-5-16-6-9)7-17-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyANTVMSFEDORSTM-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 104748285) is N-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is ANTVMSFEDORSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-2-4-15-10(9-3-5-16-6-9)7-17-8-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 255.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 104748285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).