furan-2-ylmethyl 3-(difluoromethoxy)benzoate

C13H10F2O4 — CID 2309813

IUPACfuran-2-ylmethyl 3-(difluoromethoxy)benzoate
SMILESO=C(OCc1ccco1)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H10F2O4/c14-13(15)19-10-4-1-3-9(7-10)12(16)18-8-11-5-2-6-17-11/h1-7,13H,8H2
InChIKeyIYHWBUICBJAZLQ-UHFFFAOYSA-N
MW268.21 g/mol
LogP3.24
Rot. Bonds5

About furan-2-ylmethyl 3-(difluoromethoxy)benzoate

furan-2-ylmethyl 3-(difluoromethoxy)benzoate (PubChem CID 2309813) has the molecular formula C13H10F2O4 and a molecular weight of 268.21 g/mol. Its IUPAC name is furan-2-ylmethyl 3-(difluoromethoxy)benzoate.

Molecular Properties

Compound Namefuran-2-ylmethyl 3-(difluoromethoxy)benzoate
PubChem CID2309813
Molecular FormulaC13H10F2O4
Molecular Weight268.21 g/mol
Exact Mass268.05
IUPAC Namefuran-2-ylmethyl 3-(difluoromethoxy)benzoate
SMILESO=C(OCc1ccco1)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H10F2O4/c14-13(15)19-10-4-1-3-9(7-10)12(16)18-8-11-5-2-6-17-11/h1-7,13H,8H2
InChIKeyIYHWBUICBJAZLQ-UHFFFAOYSA-N
XLogP3.24
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352954
furan-2-ylmethyl 3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]benzoate
CID 126609644
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
(2-methylcyclopropyl)methyl 3-(difluoromethoxy)benzoate
CID 86889974
[2-(tert-butylamino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2693137
3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 105098497
(7-ethyl-2-oxochromen-4-yl)methyl 3-(difluoromethoxy)benzoate
CID 7985274
furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate
CID 1043465
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate
CID 7569541
furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2683151
3-[2-(furan-2-ylmethoxy)ethoxy]benzohydrazide
CID 63587007
[2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512945

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 3-(difluoromethoxy)benzoate?
The IUPAC name of furan-2-ylmethyl 3-(difluoromethoxy)benzoate (CID 2309813) is furan-2-ylmethyl 3-(difluoromethoxy)benzoate.
What is the SMILES notation for furan-2-ylmethyl 3-(difluoromethoxy)benzoate?
The canonical SMILES for furan-2-ylmethyl 3-(difluoromethoxy)benzoate is O=C(OCc1ccco1)c1cccc(OC(F)F)c1.
What is the InChIKey of furan-2-ylmethyl 3-(difluoromethoxy)benzoate?
The InChIKey is IYHWBUICBJAZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O4/c14-13(15)19-10-4-1-3-9(7-10)12(16)18-8-11-5-2-6-17-11/h1-7,13H,8H2.
What are the key properties of furan-2-ylmethyl 3-(difluoromethoxy)benzoate?
furan-2-ylmethyl 3-(difluoromethoxy)benzoate has a molecular weight of 268.21 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 3-(difluoromethoxy)benzoate is sourced from PubChem (CID 2309813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).