N-(2,2,2-trifluoroethyl)oxan-4-amine

C7H12F3NO — CID 43608311

IUPACN-(2,2,2-trifluoroethyl)oxan-4-amine
SMILESFC(F)(F)CNC1CCOCC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5-11-6-1-3-12-4-2-6/h6,11H,1-5H2
InChIKeyIQQNCZOHVNBOPL-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)oxan-4-amine

N-(2,2,2-trifluoroethyl)oxan-4-amine (PubChem CID 43608311) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)oxan-4-amine
PubChem CID43608311
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-(2,2,2-trifluoroethyl)oxan-4-amine
SMILESFC(F)(F)CNC1CCOCC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5-11-6-1-3-12-4-2-6/h6,11H,1-5H2
InChIKeyIQQNCZOHVNBOPL-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.32
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)oxan-4-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)oxan-4-amine (CID 43608311) is N-(2,2,2-trifluoroethyl)oxan-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)oxan-4-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)oxan-4-amine is FC(F)(F)CNC1CCOCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)oxan-4-amine?
The InChIKey is IQQNCZOHVNBOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)5-11-6-1-3-12-4-2-6/h6,11H,1-5H2.
What are the key properties of N-(2,2,2-trifluoroethyl)oxan-4-amine?
N-(2,2,2-trifluoroethyl)oxan-4-amine has a molecular weight of 183.17 g/mol, XLogP of 1.32, 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)oxan-4-amine is sourced from PubChem (CID 43608311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).