N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H20F3NO3 — CID 104760899

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCOC1(CNCCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C11H20F3NO3/c1-16-10(3-6-18-8-10)7-15-4-2-5-17-9-11(12,13)14/h15H,2-9H2,1H3
InChIKeyKBPZBQRTZFITSD-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.35
Rot. Bonds8

About N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 104760899) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID104760899
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCOC1(CNCCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C11H20F3NO3/c1-16-10(3-6-18-8-10)7-15-4-2-5-17-9-11(12,13)14/h15H,2-9H2,1H3
InChIKeyKBPZBQRTZFITSD-UHFFFAOYSA-N
XLogP1.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 104760899) is N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is COC1(CNCCCOCC(F)(F)F)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is KBPZBQRTZFITSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-16-10(3-6-18-8-10)7-15-4-2-5-17-9-11(12,13)14/h15H,2-9H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 271.28 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 104760899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).