1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C11H17F4NO2 — CID 103475470

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)C1=CCCCO1
InChIInChI=1S/C11H17F4NO2/c1-16-8(9-4-2-3-5-18-9)6-17-7-11(14,15)10(12)13/h4,8,10,16H,2-3,5-7H2,1H3
InChIKeyAIGNZRCUULGYCM-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.19
Rot. Bonds7

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475470) has the molecular formula C11H17F4NO2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475470
Molecular FormulaC11H17F4NO2
Molecular Weight271.25 g/mol
Exact Mass271.12
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)C1=CCCCO1
InChIInChI=1S/C11H17F4NO2/c1-16-8(9-4-2-3-5-18-9)6-17-7-11(14,15)10(12)13/h4,8,10,16H,2-3,5-7H2,1H3
InChIKeyAIGNZRCUULGYCM-UHFFFAOYSA-N
XLogP2.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine 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 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475470) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CNC(COCC(F)(F)C(F)F)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is AIGNZRCUULGYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4NO2/c1-16-8(9-4-2-3-5-18-9)6-17-7-11(14,15)10(12)13/h4,8,10,16H,2-3,5-7H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 271.25 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).