5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid

C8H8F3NO3 — CID 63228123

IUPAC5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCCC(F)(F)F)o1
InChIInChI=1S/C8H8F3NO3/c9-8(10,11)3-4-12-6-2-1-5(15-6)7(13)14/h1-2,12H,3-4H2,(H,13,14)
InChIKeyJEOOMEURBQBIHE-UHFFFAOYSA-N
MW223.15 g/mol
LogP2.34
Rot. Bonds4

About 5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid

5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid (PubChem CID 63228123) has the molecular formula C8H8F3NO3 and a molecular weight of 223.15 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid
PubChem CID63228123
Molecular FormulaC8H8F3NO3
Molecular Weight223.15 g/mol
Exact Mass223.05
IUPAC Name5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCCC(F)(F)F)o1
InChIInChI=1S/C8H8F3NO3/c9-8(10,11)3-4-12-6-2-1-5(15-6)7(13)14/h1-2,12H,3-4H2,(H,13,14)
InChIKeyJEOOMEURBQBIHE-UHFFFAOYSA-N
XLogP2.34
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid
CID 62204256
5-[(4-bromophenyl)methylamino]furan-2-carboxylic acid
CID 62206358
5-[(3,4-difluorophenyl)methylamino]furan-2-carboxylic acid
CID 62206208
5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid
CID 106177280
5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid
CID 82954819
5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid
CID 62205130
5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid
CID 113360552
4-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]benzoic acid
CID 63227545
5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid
CID 81177327
5-(pyridin-2-ylmethylamino)furan-2-carboxylic acid
CID 62205127
5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 80528245
5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid
CID 66477754

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid (CID 63228123) is 5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid is O=C(O)c1ccc(NCCC(F)(F)F)o1.
What is the InChIKey of 5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid?
The InChIKey is JEOOMEURBQBIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3/c9-8(10,11)3-4-12-6-2-1-5(15-6)7(13)14/h1-2,12H,3-4H2,(H,13,14).
What are the key properties of 5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid?
5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid has a molecular weight of 223.15 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid is sourced from PubChem (CID 63228123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).