2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine

C8H14F3NO — CID 61269934

IUPAC2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine
SMILESFC(F)(F)CNCC1CCOCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-12-5-7-1-3-13-4-2-7/h7,12H,1-6H2
InChIKeyNKYGRJCAXOHWDC-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.56
Rot. Bonds3

About 2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine

2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 61269934) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine
PubChem CID61269934
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine
SMILESFC(F)(F)CNCC1CCOCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-12-5-7-1-3-13-4-2-7/h7,12H,1-6H2
InChIKeyNKYGRJCAXOHWDC-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-(oxan-4-ylmethyl)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 2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine (CID 61269934) is 2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine is FC(F)(F)CNCC1CCOCC1.
What is the InChIKey of 2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is NKYGRJCAXOHWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6-12-5-7-1-3-13-4-2-7/h7,12H,1-6H2.
What are the key properties of 2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 197.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 61269934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).