N-methyloxan-4-amine;2,2,2-trifluoroethanamine

C8H17F3N2O — CID 157303035

IUPACN-methyloxan-4-amine;2,2,2-trifluoroethanamine
SMILESCNC1CCOCC1.NCC(F)(F)F
InChIInChI=1S/C6H13NO.C2H4F3N/c1-7-6-2-4-8-5-3-6;3-2(4,5)1-6/h6-7H,2-5H2,1H3;1,6H2
InChIKeyBCCXRNHRNIEKMD-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.89
Rot. Bonds1

About N-methyloxan-4-amine;2,2,2-trifluoroethanamine

N-methyloxan-4-amine;2,2,2-trifluoroethanamine (PubChem CID 157303035) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is N-methyloxan-4-amine;2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-methyloxan-4-amine;2,2,2-trifluoroethanamine
PubChem CID157303035
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC NameN-methyloxan-4-amine;2,2,2-trifluoroethanamine
SMILESCNC1CCOCC1.NCC(F)(F)F
InChIInChI=1S/C6H13NO.C2H4F3N/c1-7-6-2-4-8-5-3-6;3-2(4,5)1-6/h6-7H,2-5H2,1H3;1,6H2
InChIKeyBCCXRNHRNIEKMD-UHFFFAOYSA-N
XLogP0.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyloxan-4-amine;2,2,2-trifluoroethanamine?
The IUPAC name of N-methyloxan-4-amine;2,2,2-trifluoroethanamine (CID 157303035) is N-methyloxan-4-amine;2,2,2-trifluoroethanamine.
What is the SMILES notation for N-methyloxan-4-amine;2,2,2-trifluoroethanamine?
The canonical SMILES for N-methyloxan-4-amine;2,2,2-trifluoroethanamine is CNC1CCOCC1.NCC(F)(F)F.
What is the InChIKey of N-methyloxan-4-amine;2,2,2-trifluoroethanamine?
The InChIKey is BCCXRNHRNIEKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H4F3N/c1-7-6-2-4-8-5-3-6;3-2(4,5)1-6/h6-7H,2-5H2,1H3;1,6H2.
What are the key properties of N-methyloxan-4-amine;2,2,2-trifluoroethanamine?
N-methyloxan-4-amine;2,2,2-trifluoroethanamine has a molecular weight of 214.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloxan-4-amine;2,2,2-trifluoroethanamine is sourced from PubChem (CID 157303035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).