N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine

C11H20F3NO2 — CID 62717865

IUPACN-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine
SMILESCNCC1(CCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C11H20F3NO2/c1-15-7-10(4-6-17-8-10)3-2-5-16-9-11(12,13)14/h15H,2-9H2,1H3
InChIKeyFXSPZIGRSRFQKX-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.97
Rot. Bonds7

About N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine

N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine (PubChem CID 62717865) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine
PubChem CID62717865
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine
SMILESCNCC1(CCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C11H20F3NO2/c1-15-7-10(4-6-17-8-10)3-2-5-16-9-11(12,13)14/h15H,2-9H2,1H3
InChIKeyFXSPZIGRSRFQKX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine (CID 62717865) is N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine is CNCC1(CCCOCC(F)(F)F)CCOC1.
What is the InChIKey of N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine?
The InChIKey is FXSPZIGRSRFQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-15-7-10(4-6-17-8-10)3-2-5-16-9-11(12,13)14/h15H,2-9H2,1H3.
What are the key properties of N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine?
N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine 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-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 62717865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).