N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine

C8H14F3NO — CID 115257837

IUPACN-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
SMILESCN(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C8H14F3NO/c1-12(6-8(9,10)11)7-2-4-13-5-3-7/h7H,2-6H2,1H3
InChIKeyXWZWSUJSLWVPRU-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.66
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine

N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine (PubChem CID 115257837) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
PubChem CID115257837
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
SMILESCN(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C8H14F3NO/c1-12(6-8(9,10)11)7-2-4-13-5-3-7/h7H,2-6H2,1H3
InChIKeyXWZWSUJSLWVPRU-UHFFFAOYSA-N
XLogP1.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine (CID 115257837) is N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine is CN(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The InChIKey is XWZWSUJSLWVPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12(6-8(9,10)11)7-2-4-13-5-3-7/h7H,2-6H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine has a molecular weight of 197.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine is sourced from PubChem (CID 115257837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).