3,3,3-trifluoro-2-(oxan-2-ylmethoxymethyl)propan-1-amine

C10H18F3NO2 — CID 103366714

IUPAC3,3,3-trifluoro-2-(oxan-2-ylmethoxymethyl)propan-1-amine
SMILESNCC(COCC1CCCCO1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8(5-14)6-15-7-9-3-1-2-4-16-9/h8-9H,1-7,14H2
InChIKeyKWGIWJAYCFPYLT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.71
Rot. Bonds5

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

3,3,3-trifluoro-2-(oxan-2-ylmethoxymethyl)propan-1-amine (PubChem CID 103366714) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(oxan-2-ylmethoxymethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(oxan-2-ylmethoxymethyl)propan-1-amine
PubChem CID103366714
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3,3,3-trifluoro-2-(oxan-2-ylmethoxymethyl)propan-1-amine
SMILESNCC(COCC1CCCCO1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8(5-14)6-15-7-9-3-1-2-4-16-9/h8-9H,1-7,14H2
InChIKeyKWGIWJAYCFPYLT-UHFFFAOYSA-N
XLogP1.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.71
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-2-ylmethoxymethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(oxan-2-ylmethoxymethyl)propan-1-amine (CID 103366714) is 3,3,3-trifluoro-2-(oxan-2-ylmethoxymethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(oxan-2-ylmethoxymethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(oxan-2-ylmethoxymethyl)propan-1-amine is NCC(COCC1CCCCO1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(oxan-2-ylmethoxymethyl)propan-1-amine?
The InChIKey is KWGIWJAYCFPYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)8(5-14)6-15-7-9-3-1-2-4-16-9/h8-9H,1-7,14H2.
What are the key properties of 3,3,3-trifluoro-2-(oxan-2-ylmethoxymethyl)propan-1-amine?
3,3,3-trifluoro-2-(oxan-2-ylmethoxymethyl)propan-1-amine has a molecular weight of 241.25 g/mol, XLogP of 1.71, 5 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-2-ylmethoxymethyl)propan-1-amine is sourced from PubChem (CID 103366714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).