N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine

C10H15F6NO2 — CID 102721892

IUPACN-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine
SMILESCCNC1CCOCC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO2/c1-2-17-6-3-4-18-5-7(6)19-8(9(11,12)13)10(14,15)16/h6-8,17H,2-5H2,1H3
InChIKeyJNYWXQVWEHWXRY-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.26
Rot. Bonds4

About N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine

N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine (PubChem CID 102721892) has the molecular formula C10H15F6NO2 and a molecular weight of 295.22 g/mol. Its IUPAC name is N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine
PubChem CID102721892
Molecular FormulaC10H15F6NO2
Molecular Weight295.22 g/mol
Exact Mass295.10
IUPAC NameN-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine
SMILESCCNC1CCOCC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO2/c1-2-17-6-3-4-18-5-7(6)19-8(9(11,12)13)10(14,15)16/h6-8,17H,2-5H2,1H3
InChIKeyJNYWXQVWEHWXRY-UHFFFAOYSA-N
XLogP2.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine?
The IUPAC name of N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine (CID 102721892) is N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine.
What is the SMILES notation for N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine?
The canonical SMILES for N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine is CCNC1CCOCC1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine?
The InChIKey is JNYWXQVWEHWXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO2/c1-2-17-6-3-4-18-5-7(6)19-8(9(11,12)13)10(14,15)16/h6-8,17H,2-5H2,1H3.
What are the key properties of N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine?
N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine has a molecular weight of 295.22 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine is sourced from PubChem (CID 102721892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).