2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone

C7H6F3NO2 — CID 82402398

IUPAC2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone
SMILESNCC(=O)c1cc(C(F)(F)F)co1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)4-1-6(13-3-4)5(12)2-11/h1,3H,2,11H2
InChIKeyFHFDMJGLFNTSTK-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.44
Rot. Bonds2

About 2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone

2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone (PubChem CID 82402398) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone
PubChem CID82402398
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone
SMILESNCC(=O)c1cc(C(F)(F)F)co1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)4-1-6(13-3-4)5(12)2-11/h1,3H,2,11H2
InChIKeyFHFDMJGLFNTSTK-UHFFFAOYSA-N
XLogP1.44
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide
CID 110834036
piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone
CID 110834030
2-[4-(trifluoromethyl)furan-2-yl]ethanamine
CID 82409789
4-(trifluoromethyl)furan-2-thiol
CID 139909776
N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 130381501
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 66649987
2-amino-1-[4-iodo-3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 122235395
2-amino-1-[3-iodo-4-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 122235413
2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 134461677
2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 87486222
2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 117115583
2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
CID 84684327

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone (CID 82402398) is 2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone is NCC(=O)c1cc(C(F)(F)F)co1.
What is the InChIKey of 2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone?
The InChIKey is FHFDMJGLFNTSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)4-1-6(13-3-4)5(12)2-11/h1,3H,2,11H2.
What are the key properties of 2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone?
2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone has a molecular weight of 193.12 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone is sourced from PubChem (CID 82402398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).