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

C9H16F3NO — CID 66204343

IUPACN-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
SMILESCCNC(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-13-8(9(10,11)12)7-3-5-14-6-4-7/h7-8,13H,2-6H2,1H3
InChIKeyJBYBDIDRMAWZDN-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.95
Rot. Bonds3

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

N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine (PubChem CID 66204343) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
PubChem CID66204343
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
SMILESCCNC(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-13-8(9(10,11)12)7-3-5-14-6-4-7/h7-8,13H,2-6H2,1H3
InChIKeyJBYBDIDRMAWZDN-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine (CID 66204343) is N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine is CCNC(C1CCOCC1)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine?
The InChIKey is JBYBDIDRMAWZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-13-8(9(10,11)12)7-3-5-14-6-4-7/h7-8,13H,2-6H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine?
N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine has a molecular weight of 211.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 66204343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).