[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate

C19H14F2O5 — CID 7193714

IUPAC[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H14F2O5/c1-11(17(22)12-6-8-14(9-7-12)25-19(20)21)24-18(23)16-10-13-4-2-3-5-15(13)26-16/h2-11,19H,1H3/t11-/m1/s1
InChIKeyIZSMNZSRPPIJDP-LLVKDONJSA-N
MW360.31 g/mol
LogP4.46
Rot. Bonds6

About [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate

[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate (PubChem CID 7193714) has the molecular formula C19H14F2O5 and a molecular weight of 360.31 g/mol. Its IUPAC name is [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
PubChem CID7193714
Molecular FormulaC19H14F2O5
Molecular Weight360.31 g/mol
Exact Mass360.08
IUPAC Name[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H14F2O5/c1-11(17(22)12-6-8-14(9-7-12)25-19(20)21)24-18(23)16-10-13-4-2-3-5-15(13)26-16/h2-11,19H,1H3/t11-/m1/s1
InChIKeyIZSMNZSRPPIJDP-LLVKDONJSA-N
XLogP4.46
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
CID 29075985
[2-[3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 4-(difluoromethoxy)benzoate
CID 4689372
1-benzofuran-2-yl-[3-(difluoromethoxy)phenyl]methanone
CID 43145532
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193834
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193579
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193774
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7210590
4-hydroxybutan-2-yl 1-benzofuran-2-carboxylate
CID 91575458
[(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 8789445
[(2R)-1-amino-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 2612532
(1-amino-1-oxopropan-2-yl) 4-(difluoromethoxy)benzoate
CID 18076582
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate?
The IUPAC name of [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate (CID 7193714) is [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate is C[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate?
The InChIKey is IZSMNZSRPPIJDP-LLVKDONJSA-N. The full InChI is InChI=1S/C19H14F2O5/c1-11(17(22)12-6-8-14(9-7-12)25-19(20)21)24-18(23)16-10-13-4-2-3-5-15(13)26-16/h2-11,19H,1H3/t11-/m1/s1.
What are the key properties of [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate?
[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate has a molecular weight of 360.31 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7193714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).