[6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine

C11H14F3NO2 — CID 58035059

IUPAC[6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine
SMILESNCC1CCCC(c2ccc(C(F)(F)F)o2)O1
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)10-5-4-9(17-10)8-3-1-2-7(6-15)16-8/h4-5,7-8H,1-3,6,15H2
InChIKeyZMMOLWMYKMGOMN-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.87
Rot. Bonds2

About [6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine

[6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine (PubChem CID 58035059) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is [6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine.

Molecular Properties

Compound Name[6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine
PubChem CID58035059
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name[6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine
SMILESNCC1CCCC(c2ccc(C(F)(F)F)o2)O1
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)10-5-4-9(17-10)8-3-1-2-7(6-15)16-8/h4-5,7-8H,1-3,6,15H2
InChIKeyZMMOLWMYKMGOMN-UHFFFAOYSA-N
XLogP2.87
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine?
The IUPAC name of [6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine (CID 58035059) is [6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine.
What is the SMILES notation for [6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine?
The canonical SMILES for [6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine is NCC1CCCC(c2ccc(C(F)(F)F)o2)O1.
What is the InChIKey of [6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine?
The InChIKey is ZMMOLWMYKMGOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c12-11(13,14)10-5-4-9(17-10)8-3-1-2-7(6-15)16-8/h4-5,7-8H,1-3,6,15H2.
What are the key properties of [6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine?
[6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine has a molecular weight of 249.23 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-(trifluoromethyl)furan-2-yl]oxan-2-yl]methanamine is sourced from PubChem (CID 58035059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).