N-(2,2,2-trifluoroethyl)oxetan-3-amine

C5H8F3NO — CID 63622170

IUPACN-(2,2,2-trifluoroethyl)oxetan-3-amine
SMILESFC(F)(F)CNC1COC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)3-9-4-1-10-2-4/h4,9H,1-3H2
InChIKeyXMRONXNNYFFSOS-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.54
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)oxetan-3-amine

N-(2,2,2-trifluoroethyl)oxetan-3-amine (PubChem CID 63622170) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)oxetan-3-amine
PubChem CID63622170
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC NameN-(2,2,2-trifluoroethyl)oxetan-3-amine
SMILESFC(F)(F)CNC1COC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)3-9-4-1-10-2-4/h4,9H,1-3H2
InChIKeyXMRONXNNYFFSOS-UHFFFAOYSA-N
XLogP0.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)oxetan-3-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)oxetan-3-amine (CID 63622170) is N-(2,2,2-trifluoroethyl)oxetan-3-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)oxetan-3-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)oxetan-3-amine is FC(F)(F)CNC1COC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)oxetan-3-amine?
The InChIKey is XMRONXNNYFFSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)3-9-4-1-10-2-4/h4,9H,1-3H2.
What are the key properties of N-(2,2,2-trifluoroethyl)oxetan-3-amine?
N-(2,2,2-trifluoroethyl)oxetan-3-amine has a molecular weight of 155.12 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)oxetan-3-amine is sourced from PubChem (CID 63622170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).