N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H20F3NO2 — CID 54941853

IUPACN-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCC1CCCCO1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-16-6-3-5-15-8-10-4-1-2-7-17-10/h10,15H,1-9H2
InChIKeyGHBNIEJOGVNBBM-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.11
Rot. Bonds7

About N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 54941853) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID54941853
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCC1CCCCO1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-16-6-3-5-15-8-10-4-1-2-7-17-10/h10,15H,1-9H2
InChIKeyGHBNIEJOGVNBBM-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 54941853) is N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is FC(F)(F)COCCCNCC1CCCCO1.
What is the InChIKey of N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is GHBNIEJOGVNBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)9-16-6-3-5-15-8-10-4-1-2-7-17-10/h10,15H,1-9H2.
What are the key properties of N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 255.28 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 54941853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).