1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine

C8H12F3NO — CID 102649052

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(C1=CCCCO1)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-12-7(8(9,10)11)6-4-2-3-5-13-6/h4,7,12H,2-3,5H2,1H3
InChIKeyMTTMTXQQLQSYFO-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.83
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 102649052) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID102649052
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(C1=CCCCO1)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-12-7(8(9,10)11)6-4-2-3-5-13-6/h4,7,12H,2-3,5H2,1H3
InChIKeyMTTMTXQQLQSYFO-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine 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)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine (CID 102649052) is 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine is CNC(C1=CCCCO1)C(F)(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is MTTMTXQQLQSYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-12-7(8(9,10)11)6-4-2-3-5-13-6/h4,7,12H,2-3,5H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 195.18 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 102649052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).