2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid

C13H12FNO3 — CID 82296842

IUPAC2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NCc2ccco2)c(F)c1
InChIInChI=1S/C13H12FNO3/c14-11-6-9(7-13(16)17)3-4-12(11)15-8-10-2-1-5-18-10/h1-6,15H,7-8H2,(H,16,17)
InChIKeyDTPXXZYWMUXHLZ-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.66
Rot. Bonds5

About 2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid

2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid (PubChem CID 82296842) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid
PubChem CID82296842
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NCc2ccco2)c(F)c1
InChIInChI=1S/C13H12FNO3/c14-11-6-9(7-13(16)17)3-4-12(11)15-8-10-2-1-5-18-10/h1-6,15H,7-8H2,(H,16,17)
InChIKeyDTPXXZYWMUXHLZ-UHFFFAOYSA-N
XLogP2.66
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-4-(furan-2-ylmethylamino)benzoic acid
CID 79837782
2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid
CID 65345977
2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline
CID 62811049
2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid
CID 115022150
2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid
CID 82300980
N-(2,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231606
tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate
CID 107240685
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088700
2-(furan-2-ylmethylamino)-5-nitrobenzoic acid
CID 2725579
2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
CID 43713977
4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine
CID 116735323
4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine
CID 103589771

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid (CID 82296842) is 2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NCc2ccco2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid?
The InChIKey is DTPXXZYWMUXHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c14-11-6-9(7-13(16)17)3-4-12(11)15-8-10-2-1-5-18-10/h1-6,15H,7-8H2,(H,16,17).
What are the key properties of 2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid?
2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid has a molecular weight of 249.24 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid is sourced from PubChem (CID 82296842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).