N-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine

C11H20F3NO2 — CID 55073301

IUPACN-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(COCC(F)(F)F)O1
InChIInChI=1S/C11H20F3NO2/c1-8(2)15-5-9-3-4-10(17-9)6-16-7-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyFZZHEDKTJFIWHJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.11
Rot. Bonds6

About N-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine

N-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine (PubChem CID 55073301) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine
PubChem CID55073301
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(COCC(F)(F)F)O1
InChIInChI=1S/C11H20F3NO2/c1-8(2)15-5-9-3-4-10(17-9)6-16-7-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyFZZHEDKTJFIWHJ-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine (CID 55073301) is N-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine is CC(C)NCC1CCC(COCC(F)(F)F)O1.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is FZZHEDKTJFIWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-8(2)15-5-9-3-4-10(17-9)6-16-7-11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of N-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
N-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 255.28 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,2-trifluoroethoxymethyl)oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55073301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).