1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone

C12H10FNO2 — CID 83173098

IUPAC1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone
SMILESNc1ccc(F)cc1C(=O)Cc1ccoc1
InChIInChI=1S/C12H10FNO2/c13-9-1-2-11(14)10(6-9)12(15)5-8-3-4-16-7-8/h1-4,6-7H,5,14H2
InChIKeyCNSPVNQOACMJOZ-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.43
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone

1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone (PubChem CID 83173098) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone
PubChem CID83173098
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone
SMILESNc1ccc(F)cc1C(=O)Cc1ccoc1
InChIInChI=1S/C12H10FNO2/c13-9-1-2-11(14)10(6-9)12(15)5-8-3-4-16-7-8/h1-4,6-7H,5,14H2
InChIKeyCNSPVNQOACMJOZ-UHFFFAOYSA-N
XLogP2.43
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone
CID 83171971
1-(2-amino-5-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602678
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 82685660
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 66660404
1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602455
1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone
CID 115795910
1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 82685309
4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide
CID 47056492
1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone
CID 115795803
1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone
CID 106865128
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone (CID 83173098) is 1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone is Nc1ccc(F)cc1C(=O)Cc1ccoc1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone?
The InChIKey is CNSPVNQOACMJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c13-9-1-2-11(14)10(6-9)12(15)5-8-3-4-16-7-8/h1-4,6-7H,5,14H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone?
1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone has a molecular weight of 219.22 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone is sourced from PubChem (CID 83173098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).