3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine

C9H16F3NO2 — CID 62383321

IUPAC3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine
SMILESNCC(OCC1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)8(5-13)15-6-7-1-3-14-4-2-7/h7-8H,1-6,13H2
InChIKeyFNNMYVWRXWLOSR-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.32
Rot. Bonds4

About 3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine

3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine (PubChem CID 62383321) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine
PubChem CID62383321
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine
SMILESNCC(OCC1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)8(5-13)15-6-7-1-3-14-4-2-7/h7-8H,1-6,13H2
InChIKeyFNNMYVWRXWLOSR-UHFFFAOYSA-N
XLogP1.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine (CID 62383321) is 3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine is NCC(OCC1CCOCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine?
The InChIKey is FNNMYVWRXWLOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)8(5-13)15-6-7-1-3-14-4-2-7/h7-8H,1-6,13H2.
What are the key properties of 3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine?
3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine has a molecular weight of 227.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine is sourced from PubChem (CID 62383321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).