[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid

C12H9F2NO5 — CID 151984574

IUPAC[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid
SMILESCC1(c2cc(F)cc(F)c2)OC(NC(=O)O)=C(O)C1=O
InChIInChI=1S/C12H9F2NO5/c1-12(5-2-6(13)4-7(14)3-5)9(17)8(16)10(20-12)15-11(18)19/h2-4,15-16H,1H3,(H,18,19)
InChIKeyUDJVHYSYSLIMHP-UHFFFAOYSA-N
MW285.20 g/mol
LogP1.77
Rot. Bonds2

About [5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid

[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid (PubChem CID 151984574) has the molecular formula C12H9F2NO5 and a molecular weight of 285.20 g/mol. Its IUPAC name is [5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid
PubChem CID151984574
Molecular FormulaC12H9F2NO5
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid
SMILESCC1(c2cc(F)cc(F)c2)OC(NC(=O)O)=C(O)C1=O
InChIInChI=1S/C12H9F2NO5/c1-12(5-2-6(13)4-7(14)3-5)9(17)8(16)10(20-12)15-11(18)19/h2-4,15-16H,1H3,(H,18,19)
InChIKeyUDJVHYSYSLIMHP-UHFFFAOYSA-N
XLogP1.77
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140834390
[2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833950
N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide
CID 140834124
N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide
CID 140834179
N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
CID 140834203
4-bromo-N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]butanamide
CID 140834261
N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-2-ylfuran-2-yl)acetamide
CID 140833669
5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one
CID 90082264
acetic acid;1,3,5-trifluorobenzene
CID 162178148
3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 42630781
N-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
CID 140833834
N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide
CID 140834220

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid?
The IUPAC name of [5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid (CID 151984574) is [5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid.
What is the SMILES notation for [5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid?
The canonical SMILES for [5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid is CC1(c2cc(F)cc(F)c2)OC(NC(=O)O)=C(O)C1=O.
What is the InChIKey of [5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid?
The InChIKey is UDJVHYSYSLIMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO5/c1-12(5-2-6(13)4-7(14)3-5)9(17)8(16)10(20-12)15-11(18)19/h2-4,15-16H,1H3,(H,18,19).
What are the key properties of [5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid?
[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid has a molecular weight of 285.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid is sourced from PubChem (CID 151984574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).