8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine

C13H25F3N2O — CID 115517212

IUPAC8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine
SMILESCCC(C)(C(N)CCCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C13H25F3N2O/c1-3-12(2,18-7-9-19-10-8-18)11(17)5-4-6-13(14,15)16/h11H,3-10,17H2,1-2H3
InChIKeyBVEWINYQRFPMQF-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.55
Rot. Bonds6

About 8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine

8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine (PubChem CID 115517212) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine.

Molecular Properties

Compound Name8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine
PubChem CID115517212
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine
SMILESCCC(C)(C(N)CCCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C13H25F3N2O/c1-3-12(2,18-7-9-19-10-8-18)11(17)5-4-6-13(14,15)16/h11H,3-10,17H2,1-2H3
InChIKeyBVEWINYQRFPMQF-UHFFFAOYSA-N
XLogP2.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine?
The IUPAC name of 8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine (CID 115517212) is 8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine.
What is the SMILES notation for 8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine?
The canonical SMILES for 8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine is CCC(C)(C(N)CCCC(F)(F)F)N1CCOCC1.
What is the InChIKey of 8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine?
The InChIKey is BVEWINYQRFPMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-12(2,18-7-9-19-10-8-18)11(17)5-4-6-13(14,15)16/h11H,3-10,17H2,1-2H3.
What are the key properties of 8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine?
8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-3-methyl-3-morpholin-4-yloctan-4-amine is sourced from PubChem (CID 115517212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).