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

C6H6F3NO — CID 102533930

IUPAC[2-(trifluoromethyl)furan-3-yl]methanamine
SMILESNCc1ccoc1C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5-4(3-10)1-2-11-5/h1-2H,3,10H2
InChIKeyYCIJYBWFWMHNLD-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.76
Rot. Bonds1

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

[2-(trifluoromethyl)furan-3-yl]methanamine (PubChem CID 102533930) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is [2-(trifluoromethyl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethyl)furan-3-yl]methanamine
PubChem CID102533930
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name[2-(trifluoromethyl)furan-3-yl]methanamine
SMILESNCc1ccoc1C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5-4(3-10)1-2-11-5/h1-2H,3,10H2
InChIKeyYCIJYBWFWMHNLD-UHFFFAOYSA-N
XLogP1.76
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-Dimethylfuran-3-yl)methanamine
CID 2776162
1-(Furan-3-yl)ethanamine
CID 11804704
(3-Methylfuran-2-yl)methanamine
CID 18187367
1-(2-Methylfuran-3-yl)methanamine
CID 18525866
2-(Furan-2-yl)prop-2-en-1-amine
CID 13583275
1-(2,5-Dimethylfuran-3-yl)ethan-1-amine
CID 16768211
(5-Methylfuran-3-yl)methanamine
CID 55288815
[4-(Trifluoromethyl)furan-2-yl]methanamine hydrochloride
CID 138037955
1-(Furan-3-yl)ethan-1-amine hydrochloride
CID 71756511
(R)-1-(Furan-3-yl)ethan-1-amine hydrochloride
CID 137832506
(1S)-1-(furan-3-yl)ethan-1-amine hydrochloride
CID 137832513
1-[2-(Trifluoromethyl)furan-3-yl]methanamine hydrochloride
CID 165691150

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)furan-3-yl]methanamine?
The IUPAC name of [2-(trifluoromethyl)furan-3-yl]methanamine (CID 102533930) is [2-(trifluoromethyl)furan-3-yl]methanamine.
What is the SMILES notation for [2-(trifluoromethyl)furan-3-yl]methanamine?
The canonical SMILES for [2-(trifluoromethyl)furan-3-yl]methanamine is NCc1ccoc1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)furan-3-yl]methanamine?
The InChIKey is YCIJYBWFWMHNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-6(8,9)5-4(3-10)1-2-11-5/h1-2H,3,10H2.
What are the key properties of [2-(trifluoromethyl)furan-3-yl]methanamine?
[2-(trifluoromethyl)furan-3-yl]methanamine has a molecular weight of 165.11 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)furan-3-yl]methanamine is sourced from PubChem (CID 102533930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).