2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine

C10H18F3NO2 — CID 115335737

IUPAC2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine
SMILESCC1OCCC1NCCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-8-9(3-6-16-8)14-4-2-5-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyXPQWODIDBUYGKX-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.72
Rot. Bonds6

About 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine

2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine (PubChem CID 115335737) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine
PubChem CID115335737
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine
SMILESCC1OCCC1NCCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-8-9(3-6-16-8)14-4-2-5-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyXPQWODIDBUYGKX-UHFFFAOYSA-N
XLogP1.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.72
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 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine (CID 115335737) is 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine is CC1OCCC1NCCCOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine?
The InChIKey is XPQWODIDBUYGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-8-9(3-6-16-8)14-4-2-5-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine?
2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine has a molecular weight of 241.25 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine is sourced from PubChem (CID 115335737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).