N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine

C9H16F3NO — CID 156872224

IUPACN-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine
SMILESCCNCC1CCC(C(F)(F)F)OC1
InChIInChI=1S/C9H16F3NO/c1-2-13-5-7-3-4-8(14-6-7)9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyJWDQYWZCASNHIK-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.95
Rot. Bonds3

About N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine

N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine (PubChem CID 156872224) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine
PubChem CID156872224
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine
SMILESCCNCC1CCC(C(F)(F)F)OC1
InChIInChI=1S/C9H16F3NO/c1-2-13-5-7-3-4-8(14-6-7)9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyJWDQYWZCASNHIK-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-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine (CID 156872224) is N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine is CCNCC1CCC(C(F)(F)F)OC1.
What is the InChIKey of N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine?
The InChIKey is JWDQYWZCASNHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-13-5-7-3-4-8(14-6-7)9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine?
N-[[6-(trifluoromethyl)oxan-3-yl]methyl]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-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 156872224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).