2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate

C11H7F5O4 — CID 91714935

IUPAC2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F5O4/c1-19-7-5-3-2-4-6(7)8(17)20-9(18)10(12,13)11(14,15)16/h2-5H,1H3
InChIKeyFBLUJVZGOPHFPP-UHFFFAOYSA-N
MW298.16 g/mol
LogP2.58
Rot. Bonds3

About 2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate

2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate (PubChem CID 91714935) has the molecular formula C11H7F5O4 and a molecular weight of 298.16 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate
PubChem CID91714935
Molecular FormulaC11H7F5O4
Molecular Weight298.16 g/mol
Exact Mass298.03
IUPAC Name2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F5O4/c1-19-7-5-3-2-4-6(7)8(17)20-9(18)10(12,13)11(14,15)16/h2-5H,1H3
InChIKeyFBLUJVZGOPHFPP-UHFFFAOYSA-N
XLogP2.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;methyl 2-methoxybenzoate
CID 178037044
[3-(2-methoxybenzoyl)oxy-2,2-bis[(2-methoxybenzoyl)oxymethyl]propyl] 2-methoxybenzoate
CID 54498561
(2-fluorophenyl) 2-methoxybenzoate
CID 91714946
[tert-butyl(dimethyl)silyl] 2-(2,2,3,3,3-pentafluoropropanoyloxy)benzoate
CID 91754061
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 2-methoxybenzoate
CID 100922443
2-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 69456154
[(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate
CID 141193046
[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
CID 11841339
ethyl 2,2-difluoro-3-(2-methoxyphenyl)-3-oxopropanoate
CID 55071398
(E)-4,4,4-trifluoro-1-(2-methoxyphenyl)but-2-en-1-one
CID 125476147
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-methoxybenzoyl iodide
CID 139677083

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate?
The IUPAC name of 2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate (CID 91714935) is 2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate is COc1ccccc1C(=O)OC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate?
The InChIKey is FBLUJVZGOPHFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5O4/c1-19-7-5-3-2-4-6(7)8(17)20-9(18)10(12,13)11(14,15)16/h2-5H,1H3.
What are the key properties of 2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate?
2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate has a molecular weight of 298.16 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropanoyl 2-methoxybenzoate is sourced from PubChem (CID 91714935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).