2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine

C9H16F3NO — CID 116914404

IUPAC2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine
SMILESCN(C)C(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-13(2)8(9(10,11)12)7-3-5-14-6-4-7/h7-8H,3-6H2,1-2H3
InChIKeyZRIMZINLYYJHPN-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.91
Rot. Bonds2

About 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine

2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine (PubChem CID 116914404) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine
PubChem CID116914404
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine
SMILESCN(C)C(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-13(2)8(9(10,11)12)7-3-5-14-6-4-7/h7-8H,3-6H2,1-2H3
InChIKeyZRIMZINLYYJHPN-UHFFFAOYSA-N
XLogP1.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine (CID 116914404) is 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine is CN(C)C(C1CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine?
The InChIKey is ZRIMZINLYYJHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13(2)8(9(10,11)12)7-3-5-14-6-4-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine?
2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine has a molecular weight of 211.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 116914404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).