[2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate

C19H12F15NO6 — CID 605347

IUPAC[2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate
SMILESCOc1cc(C(CN(C)C(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F)ccc1OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H12F15NO6/c1-35(11(36)14(20,21)17(26,27)28)6-10(41-13(38)16(24,25)19(32,33)34)7-3-4-8(9(5-7)39-2)40-12(37)15(22,23)18(29,30)31/h3-5,10H,6H2,1-2H3
InChIKeyGDOLGVPSPFQELD-UHFFFAOYSA-N
MW635.28 g/mol
LogP5.24
Rot. Bonds9

About [2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate

[2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate (PubChem CID 605347) has the molecular formula C19H12F15NO6 and a molecular weight of 635.28 g/mol. Its IUPAC name is [2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name[2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate
PubChem CID605347
Molecular FormulaC19H12F15NO6
Molecular Weight635.28 g/mol
Exact Mass635.04
IUPAC Name[2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate
SMILESCOc1cc(C(CN(C)C(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F)ccc1OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H12F15NO6/c1-35(11(36)14(20,21)17(26,27)28)6-10(41-13(38)16(24,25)19(32,33)34)7-3-4-8(9(5-7)39-2)40-12(37)15(22,23)18(29,30)31/h3-5,10H,6H2,1-2H3
InChIKeyGDOLGVPSPFQELD-UHFFFAOYSA-N
XLogP5.24
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.28
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate with MolForge

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Related Compounds

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CID 71539069
2,2,2-Trifluoroethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-fluoro-5-methoxyphenyl]acetate
CID 118719711
1,1,1-Trifluoropropan-2-yl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-fluoro-5-methoxyphenyl]acetate
CID 118719712
2,2,2-Trifluoroethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxy-5-fluorophenyl]acetate
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1,1,1-Trifluoropropan-2-yl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxy-5-fluorophenyl]acetate
CID 118720110
2,2,2-Trifluoroethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-2-fluoro-5-methoxyphenyl]acetate
CID 118720114
1,1,1-Trifluoropropan-2-yl 2-[4-[2-(diethylamino)-2-oxoethoxy]-2-fluoro-5-methoxyphenyl]acetate
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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of [2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate (CID 605347) is [2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for [2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for [2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate is COc1cc(C(CN(C)C(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F)ccc1OC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of [2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is GDOLGVPSPFQELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F15NO6/c1-35(11(36)14(20,21)17(26,27)28)6-10(41-13(38)16(24,25)19(32,33)34)7-3-4-8(9(5-7)39-2)40-12(37)15(22,23)18(29,30)31/h3-5,10H,6H2,1-2H3.
What are the key properties of [2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate?
[2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 635.28 g/mol, XLogP of 5.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 605347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).