3-(2,2,2-trifluoroethyl)oxan-3-amine

C7H12F3NO — CID 105440417

IUPAC3-(2,2,2-trifluoroethyl)oxan-3-amine
SMILESNC1(CC(F)(F)F)CCCOC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)4-6(11)2-1-3-12-5-6/h1-5,11H2
InChIKeyLOGNZETVZWERHX-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.45
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)oxan-3-amine

3-(2,2,2-trifluoroethyl)oxan-3-amine (PubChem CID 105440417) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)oxan-3-amine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)oxan-3-amine
PubChem CID105440417
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-(2,2,2-trifluoroethyl)oxan-3-amine
SMILESNC1(CC(F)(F)F)CCCOC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)4-6(11)2-1-3-12-5-6/h1-5,11H2
InChIKeyLOGNZETVZWERHX-UHFFFAOYSA-N
XLogP1.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)oxan-3-amine?
The IUPAC name of 3-(2,2,2-trifluoroethyl)oxan-3-amine (CID 105440417) is 3-(2,2,2-trifluoroethyl)oxan-3-amine.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)oxan-3-amine?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)oxan-3-amine is NC1(CC(F)(F)F)CCCOC1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)oxan-3-amine?
The InChIKey is LOGNZETVZWERHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)4-6(11)2-1-3-12-5-6/h1-5,11H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)oxan-3-amine?
3-(2,2,2-trifluoroethyl)oxan-3-amine has a molecular weight of 183.17 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)oxan-3-amine is sourced from PubChem (CID 105440417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).