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

C13H10F2O3 — CID 113461687

IUPAC(3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)c2cc(F)cc(F)c2)o1
InChIInChI=1S/C13H10F2O3/c1-17-7-11-2-3-12(18-11)13(16)8-4-9(14)6-10(15)5-8/h2-6H,7H2,1H3
InChIKeyZASRFPACGZAMKT-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.94
Rot. Bonds4

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

(3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 113461687) has the molecular formula C13H10F2O3 and a molecular weight of 252.22 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID113461687
Molecular FormulaC13H10F2O3
Molecular Weight252.22 g/mol
Exact Mass252.06
IUPAC Name(3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)c2cc(F)cc(F)c2)o1
InChIInChI=1S/C13H10F2O3/c1-17-7-11-2-3-12(18-11)13(16)8-4-9(14)6-10(15)5-8/h2-6H,7H2,1H3
InChIKeyZASRFPACGZAMKT-UHFFFAOYSA-N
XLogP2.94
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461643
(3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 107123757
(3-chloro-5-methylphenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461681
(2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 114368760
5-(methoxymethyl)furan-2-carbonyl chloride
CID 45081463
(2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 106851415
(5-chlorofuran-2-yl)-(3,5-difluorophenyl)methanone
CID 106690978
2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride
CID 45080964
(3-bromo-2-methylphenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461679
(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81283012
N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide
CID 78882500
5-(methoxymethyl)furan-2-carbothioamide
CID 127005352

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone (CID 113461687) is (3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)c2cc(F)cc(F)c2)o1.
What is the InChIKey of (3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is ZASRFPACGZAMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O3/c1-17-7-11-2-3-12(18-11)13(16)8-4-9(14)6-10(15)5-8/h2-6H,7H2,1H3.
What are the key properties of (3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone?
(3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 252.22 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 113461687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).