[3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid

C14H11ClFNO6 — CID 151717686

IUPAC[3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid
SMILESCC(=O)OC1=C(NC(=O)O)OC(C)(c2c(F)cccc2Cl)C1=O
InChIInChI=1S/C14H11ClFNO6/c1-6(18)22-10-11(19)14(2,23-12(10)17-13(20)21)9-7(15)4-3-5-8(9)16/h3-5,17H,1-2H3,(H,20,21)
InChIKeyRHXFEDOSAGZFKN-UHFFFAOYSA-N
MW343.69 g/mol
LogP2.29
Rot. Bonds3

About [3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid

[3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid (PubChem CID 151717686) has the molecular formula C14H11ClFNO6 and a molecular weight of 343.69 g/mol. Its IUPAC name is [3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid
PubChem CID151717686
Molecular FormulaC14H11ClFNO6
Molecular Weight343.69 g/mol
Exact Mass343.03
IUPAC Name[3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid
SMILESCC(=O)OC1=C(NC(=O)O)OC(C)(c2c(F)cccc2Cl)C1=O
InChIInChI=1S/C14H11ClFNO6/c1-6(18)22-10-11(19)14(2,23-12(10)17-13(20)21)9-7(15)4-3-5-8(9)16/h3-5,17H,1-2H3,(H,20,21)
InChIKeyRHXFEDOSAGZFKN-UHFFFAOYSA-N
XLogP2.29
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.69
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833569
[5-(4-chloro-3-fluorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834404
[5-(4-chloro-2-fluorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834145
[5-(2,6-difluorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834378
5-amino-2-(2-chloro-6-fluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
CID 90081586
[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833701
[5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833655
[2-amino-5-(2,3-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834024
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833963
[2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate
CID 140833877
[5-(4-chlorophenyl)-2-(2,5-dihydroxypyrrol-1-yl)-5-methyl-4-oxofuran-3-yl] acetate
CID 123420434
1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone
CID 82284313

Frequently Asked Questions

What is the IUPAC name of [3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid?
The IUPAC name of [3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid (CID 151717686) is [3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid.
What is the SMILES notation for [3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid?
The canonical SMILES for [3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid is CC(=O)OC1=C(NC(=O)O)OC(C)(c2c(F)cccc2Cl)C1=O.
What is the InChIKey of [3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid?
The InChIKey is RHXFEDOSAGZFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO6/c1-6(18)22-10-11(19)14(2,23-12(10)17-13(20)21)9-7(15)4-3-5-8(9)16/h3-5,17H,1-2H3,(H,20,21).
What are the key properties of [3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid?
[3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid has a molecular weight of 343.69 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid is sourced from PubChem (CID 151717686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).