(4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate

C10H6F6O3 — CID 91717601

IUPAC(4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate
SMILESCOc1cc(F)ccc1OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F6O3/c1-18-7-4-5(11)2-3-6(7)19-8(17)9(12,13)10(14,15)16/h2-4H,1H3
InChIKeyMDRRZNHGHPMQJH-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.94
Rot. Bonds3

About (4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate

(4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91717601) has the molecular formula C10H6F6O3 and a molecular weight of 288.14 g/mol. Its IUPAC name is (4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name(4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate
PubChem CID91717601
Molecular FormulaC10H6F6O3
Molecular Weight288.14 g/mol
Exact Mass288.02
IUPAC Name(4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate
SMILESCOc1cc(F)ccc1OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F6O3/c1-18-7-4-5(11)2-3-6(7)19-8(17)9(12,13)10(14,15)16/h2-4H,1H3
InChIKeyMDRRZNHGHPMQJH-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2,4-difluorophenyl) 2,2,3,3,3-pentafluoropropanoate
CID 88574356
bis(4-fluoro-2-methoxyphenyl) 2,2-diethylpropanedioate
CID 91695235
[5-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]-2-methoxyphenyl] 2,2,3,3,3-pentafluoropropanoate
CID 91710808
[2-methyl-3-(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate
CID 91710793
(2-formyl-4-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate
CID 91721178
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
(2-methoxyphenyl) 2,2,2-trifluoroacetate
CID 613204
1-O-(4-fluoro-2-methoxyphenyl) 3-O-tridecyl 2,2-diethylpropanedioate
CID 91706434
(2,3-difluorophenyl) 2,2,3,3,3-pentafluoropropanoate
CID 88574556
2-bromo-2,2-difluoro-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 131390571
[3-acetyl-4-(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate
CID 91745219
CID 58432607
CID 58432607

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of (4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate (CID 91717601) is (4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for (4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for (4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate is COc1cc(F)ccc1OC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of (4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is MDRRZNHGHPMQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O3/c1-18-7-4-5(11)2-3-6(7)19-8(17)9(12,13)10(14,15)16/h2-4H,1H3.
What are the key properties of (4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate?
(4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 288.14 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91717601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).