[3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine

C13H12F3NO2 — CID 55077539

IUPAC[3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
SMILESNCc1occc1COc1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)10-3-1-2-4-11(10)19-8-9-5-6-18-12(9)7-17/h1-6H,7-8,17H2
InChIKeyVIYUKVKZTBGIFK-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.34
Rot. Bonds4

About [3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine

[3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine (PubChem CID 55077539) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is [3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
PubChem CID55077539
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name[3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
SMILESNCc1occc1COc1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)10-3-1-2-4-11(10)19-8-9-5-6-18-12(9)7-17/h1-6H,7-8,17H2
InChIKeyVIYUKVKZTBGIFK-UHFFFAOYSA-N
XLogP3.34
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(naphthalen-1-yloxymethyl)furan-2-yl]methanamine
CID 62458706
[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62450904
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622
1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 86588170
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
[3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62454073
[3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine
CID 121004432
N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
CID 62449458
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452007
3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219491
[4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 159339368

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine?
The IUPAC name of [3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine (CID 55077539) is [3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine is NCc1occc1COc1ccccc1C(F)(F)F.
What is the InChIKey of [3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine?
The InChIKey is VIYUKVKZTBGIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c14-13(15,16)10-3-1-2-4-11(10)19-8-9-5-6-18-12(9)7-17/h1-6H,7-8,17H2.
What are the key properties of [3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine?
[3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine has a molecular weight of 271.24 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 55077539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).