trimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate

C14H9F7O2Si — CID 91743682

IUPACtrimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate
SMILESC[Si](C)(C)OC(=O)c1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C14H9F7O2Si/c1-24(2,3)23-14(22)6-7(15)4-5(8(16)11(6)19)10(18)13(21)12(20)9(4)17/h1-3H3
InChIKeyQHKPCUVTSCOULE-UHFFFAOYSA-N
MW370.30 g/mol
LogP4.81
Rot. Bonds2

About trimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate

trimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate (PubChem CID 91743682) has the molecular formula C14H9F7O2Si and a molecular weight of 370.30 g/mol. Its IUPAC name is trimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate
PubChem CID91743682
Molecular FormulaC14H9F7O2Si
Molecular Weight370.30 g/mol
Exact Mass370.03
IUPAC Nametrimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate
SMILESC[Si](C)(C)OC(=O)c1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C14H9F7O2Si/c1-24(2,3)23-14(22)6-7(15)4-5(8(16)11(6)19)10(18)13(21)12(20)9(4)17/h1-3H3
InChIKeyQHKPCUVTSCOULE-UHFFFAOYSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[1-(2,3,4,5,6-pentafluorophenyl)ethenoxy]silane
CID 13354629
1,3,4,5,6,8-hexafluoronaphthalene-2,7-dicarboxylic acid
CID 139985877
CID 159924835
CID 159924835
bis(trimethylsilyl) furan-2,5-dicarboxylate
CID 521626
4-(2,3,4,5,6-pentafluorobenzoyl)oxybut-2-ynyl 2,3,4,5,6-pentafluorobenzoate
CID 58361971
(2,3,4,6-tetrafluoro-5-methoxycarbonylphenyl)boronic acid
CID 143748431
but-3-yn-2-yl 2,3,4,5,6-pentafluorobenzoate
CID 530986
3-tri(propanoyloxy)silylpropyl 2,3,4,5,6-pentafluorobenzoate
CID 90170959
5,6,7,8-tetrafluoro-4-(2,3,4-tricarboxy-5,6,7,8-tetrafluoronaphthalene-1-carbonyl)oxycarbonylnaphthalene-1,2,3-tricarboxylic acid
CID 87074087
prop-2-enyl 2,3,4,5,6-pentafluorobenzoate
CID 606766
2,3,4,5,6-pentafluoro(13C)benzoic acid
CID 171380486
bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate
CID 71338498

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate?
The IUPAC name of trimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate (CID 91743682) is trimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate.
What is the SMILES notation for trimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate?
The canonical SMILES for trimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate is C[Si](C)(C)OC(=O)c1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F.
What is the InChIKey of trimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate?
The InChIKey is QHKPCUVTSCOULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F7O2Si/c1-24(2,3)23-14(22)6-7(15)4-5(8(16)11(6)19)10(18)13(21)12(20)9(4)17/h1-3H3.
What are the key properties of trimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate?
trimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate has a molecular weight of 370.30 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate is sourced from PubChem (CID 91743682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).