(3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone

C13H11F2NO3 — CID 107123757

IUPAC(3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)c2cc(F)cc(N)c2F)o1
InChIInChI=1S/C13H11F2NO3/c1-18-6-8-2-3-11(19-8)13(17)9-4-7(14)5-10(16)12(9)15/h2-5H,6,16H2,1H3
InChIKeyXVJIFKYZWZSJTD-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.52
Rot. Bonds4

About (3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone

(3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 107123757) has the molecular formula C13H11F2NO3 and a molecular weight of 267.23 g/mol. Its IUPAC name is (3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID107123757
Molecular FormulaC13H11F2NO3
Molecular Weight267.23 g/mol
Exact Mass267.07
IUPAC Name(3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)c2cc(F)cc(N)c2F)o1
InChIInChI=1S/C13H11F2NO3/c1-18-6-8-2-3-11(19-8)13(17)9-4-7(14)5-10(16)12(9)15/h2-5H,6,16H2,1H3
InChIKeyXVJIFKYZWZSJTD-UHFFFAOYSA-N
XLogP2.52
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of (3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone (CID 107123757) is (3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for (3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for (3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)c2cc(F)cc(N)c2F)o1.
What is the InChIKey of (3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is XVJIFKYZWZSJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3/c1-18-6-8-2-3-11(19-8)13(17)9-4-7(14)5-10(16)12(9)15/h2-5H,6,16H2,1H3.
What are the key properties of (3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone?
(3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 267.23 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 107123757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).