N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine

C8H12F3NO — CID 62064871

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCC1CCC=CO1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-12-5-7-3-1-2-4-13-7/h2,4,7,12H,1,3,5-6H2
InChIKeyKRRCWDMCAIWTBR-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.83
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine (PubChem CID 62064871) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine
PubChem CID62064871
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCC1CCC=CO1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-12-5-7-3-1-2-4-13-7/h2,4,7,12H,1,3,5-6H2
InChIKeyKRRCWDMCAIWTBR-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine 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-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine (CID 62064871) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine is FC(F)(F)CNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine?
The InChIKey is KRRCWDMCAIWTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)6-12-5-7-3-1-2-4-13-7/h2,4,7,12H,1,3,5-6H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine has a molecular weight of 195.18 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62064871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).