2-[4-(trifluoromethyl)furan-2-yl]ethanamine

C7H8F3NO — CID 82409789

IUPAC2-[4-(trifluoromethyl)furan-2-yl]ethanamine
SMILESNCCc1cc(C(F)(F)F)co1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)5-3-6(1-2-11)12-4-5/h3-4H,1-2,11H2
InChIKeyJEPVFARNYACJEP-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.80
Rot. Bonds2

About 2-[4-(trifluoromethyl)furan-2-yl]ethanamine

2-[4-(trifluoromethyl)furan-2-yl]ethanamine (PubChem CID 82409789) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)furan-2-yl]ethanamine
PubChem CID82409789
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2-[4-(trifluoromethyl)furan-2-yl]ethanamine
SMILESNCCc1cc(C(F)(F)F)co1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)5-3-6(1-2-11)12-4-5/h3-4H,1-2,11H2
InChIKeyJEPVFARNYACJEP-UHFFFAOYSA-N
XLogP1.80
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(trifluoromethyl)furan-2-yl]ethanamine
CID 82409788
2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine
CID 117122368
2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone
CID 82402398
(4-tert-butylfuran-2-yl)methanamine
CID 89205423
4-(trifluoromethyl)furan-2-thiol
CID 139909776
3-hydroxy-4-[[4-(trifluoromethyl)furan-2-yl]methylamino]butanoic acid
CID 166274135
2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide
CID 146111198
4-(trifluoromethyl)furan-2-carbonitrile
CID 82652218
N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide
CID 110834036
2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 135380865
3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 53434374
N-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)furan-2-yl]acetamide
CID 166278450

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)furan-2-yl]ethanamine?
The IUPAC name of 2-[4-(trifluoromethyl)furan-2-yl]ethanamine (CID 82409789) is 2-[4-(trifluoromethyl)furan-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(trifluoromethyl)furan-2-yl]ethanamine?
The canonical SMILES for 2-[4-(trifluoromethyl)furan-2-yl]ethanamine is NCCc1cc(C(F)(F)F)co1.
What is the InChIKey of 2-[4-(trifluoromethyl)furan-2-yl]ethanamine?
The InChIKey is JEPVFARNYACJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c8-7(9,10)5-3-6(1-2-11)12-4-5/h3-4H,1-2,11H2.
What are the key properties of 2-[4-(trifluoromethyl)furan-2-yl]ethanamine?
2-[4-(trifluoromethyl)furan-2-yl]ethanamine has a molecular weight of 179.14 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)furan-2-yl]ethanamine is sourced from PubChem (CID 82409789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).