methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate

C17H19F5O3Si — CID 102102676

IUPACmethyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESC=CCC1(C(=O)OC)CC1(O[Si](C)(C)C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H19F5O3Si/c1-6-7-16(15(23)24-2)8-17(16,25-26(3,4)5)9-10(18)12(20)14(22)13(21)11(9)19/h6H,1,7-8H2,2-5H3
InChIKeyRWFABTIOKKDSKG-UHFFFAOYSA-N
MW394.41 g/mol
LogP4.57
Rot. Bonds6

About methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate

methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate (PubChem CID 102102676) has the molecular formula C17H19F5O3Si and a molecular weight of 394.41 g/mol. Its IUPAC name is methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate
PubChem CID102102676
Molecular FormulaC17H19F5O3Si
Molecular Weight394.41 g/mol
Exact Mass394.10
IUPAC Namemethyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESC=CCC1(C(=O)OC)CC1(O[Si](C)(C)C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H19F5O3Si/c1-6-7-16(15(23)24-2)8-17(16,25-26(3,4)5)9-10(18)12(20)14(22)13(21)11(9)19/h6H,1,7-8H2,2-5H3
InChIKeyRWFABTIOKKDSKG-UHFFFAOYSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 102102674
methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate
CID 53306669
cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 10638571
methyl 1-prop-2-enylcyclohexane-1-carboxylate
CID 10932067
methyl 7-prop-2-enylbicyclo[2.2.1]heptane-7-carboxylate
CID 45098783
methyl 5,5,8a-trimethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carboxylate
CID 70446743
methyl 3-prop-2-enyl-2H-1-benzofuran-3-carboxylate
CID 134963352
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-4-prop-2-enylcyclohexa-2,5-dien-1-one
CID 100951061
methyl 2-ethenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 10856457
methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842789
methyl (1S,3E)-3-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylate
CID 98558427
dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate
CID 124565083

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate (CID 102102676) is methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate is C=CCC1(C(=O)OC)CC1(O[Si](C)(C)C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate?
The InChIKey is RWFABTIOKKDSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F5O3Si/c1-6-7-16(15(23)24-2)8-17(16,25-26(3,4)5)9-10(18)12(20)14(22)13(21)11(9)19/h6H,1,7-8H2,2-5H3.
What are the key properties of methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate?
methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate has a molecular weight of 394.41 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate is sourced from PubChem (CID 102102676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).