3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid

C9H10F3NO3 — CID 103267898

IUPAC3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid
SMILESO=C(O)C(CNCc1ccoc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)7(8(14)15)4-13-3-6-1-2-16-5-6/h1-2,5,7,13H,3-4H2,(H,14,15)
InChIKeyVWGWRTPHYCOXTC-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.63
Rot. Bonds5

About 3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid

3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid (PubChem CID 103267898) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid
PubChem CID103267898
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid
SMILESO=C(O)C(CNCc1ccoc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)7(8(14)15)4-13-3-6-1-2-16-5-6/h1-2,5,7,13H,3-4H2,(H,14,15)
InChIKeyVWGWRTPHYCOXTC-UHFFFAOYSA-N
XLogP1.63
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-3-ylmethylamino)acetic acid
CID 63204531
3,3,3-trifluoro-2-[[(4-fluoro-3,5-dimethylphenyl)methylamino]methyl]propanoic acid
CID 103258518
3,3,3-trifluoro-2-[(1,2-oxazol-5-ylmethylamino)methyl]propanoic acid
CID 106419760
1-(furan-3-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623547
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol
CID 104874092
tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate
CID 103700823
2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115618244
3,3,3-trifluoro-2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]propanoic acid
CID 103243292
methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate
CID 103267901
1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol
CID 115644826
4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine
CID 79038889

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid (CID 103267898) is 3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid is O=C(O)C(CNCc1ccoc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid?
The InChIKey is VWGWRTPHYCOXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c10-9(11,12)7(8(14)15)4-13-3-6-1-2-16-5-6/h1-2,5,7,13H,3-4H2,(H,14,15).
What are the key properties of 3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid?
3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid has a molecular weight of 237.18 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid is sourced from PubChem (CID 103267898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).