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

C8H15F3N2O — CID 65376779

IUPAC4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine
SMILESNCC1(NCC(F)(F)F)CCOCC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)6-13-7(5-12)1-3-14-4-2-7/h13H,1-6,12H2
InChIKeyQHLOTPSXWMFBLJ-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.65
Rot. Bonds3

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

4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine (PubChem CID 65376779) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine
PubChem CID65376779
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine
SMILESNCC1(NCC(F)(F)F)CCOCC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)6-13-7(5-12)1-3-14-4-2-7/h13H,1-6,12H2
InChIKeyQHLOTPSXWMFBLJ-UHFFFAOYSA-N
XLogP0.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine (CID 65376779) is 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine is NCC1(NCC(F)(F)F)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The InChIKey is QHLOTPSXWMFBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)6-13-7(5-12)1-3-14-4-2-7/h13H,1-6,12H2.
What are the key properties of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine?
4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine has a molecular weight of 212.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine is sourced from PubChem (CID 65376779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).