(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane

C51H58F6O5Si2 — CID 162057382

IUPAC(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane
SMILESC.C=C(F)C(=O)c1ccccc1.C=C(O[Si](C)(C)C)c1ccccc1.CC(=O)c1ccccc1.C[Si](C)(C)OC1(c2ccccc2)CC1(F)F.O=C(c1ccccc1)C1(F)CC1(F)F
InChIInChI=1S/C12H16F2OSi.C11H16OSi.C10H7F3O.C9H7FO.C8H8O.CH4/c1-16(2,3)15-11(9-12(11,13)14)10-7-5-4-6-8-10;1-10(12-13(2,3)4)11-8-6-5-7-9-11;11-9(6-10(9,12)13)8(14)7-4-2-1-3-5-7;1-7(10)9(11)8-5-3-2-4-6-8;1-7(9)8-5-3-2-4-6-8;/h4-8H,9H2,1-3H3;5-9H,1H2,2-4H3;1-5H,6H2;2-6H,1H2;2-6H,1H3;1H4
InChIKeyYZJDELNCIWDDRI-UHFFFAOYSA-N
MW921.18 g/mol
LogP14.78
Rot. Bonds11

About (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane

(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane (PubChem CID 162057382) has the molecular formula C51H58F6O5Si2 and a molecular weight of 921.18 g/mol. Its IUPAC name is (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane.

Molecular Properties

Compound Name(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane
PubChem CID162057382
Molecular FormulaC51H58F6O5Si2
Molecular Weight921.18 g/mol
Exact Mass920.37
IUPAC Name(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane
SMILESC.C=C(F)C(=O)c1ccccc1.C=C(O[Si](C)(C)C)c1ccccc1.CC(=O)c1ccccc1.C[Si](C)(C)OC1(c2ccccc2)CC1(F)F.O=C(c1ccccc1)C1(F)CC1(F)F
InChIInChI=1S/C12H16F2OSi.C11H16OSi.C10H7F3O.C9H7FO.C8H8O.CH4/c1-16(2,3)15-11(9-12(11,13)14)10-7-5-4-6-8-10;1-10(12-13(2,3)4)11-8-6-5-7-9-11;11-9(6-10(9,12)13)8(14)7-4-2-1-3-5-7;1-7(10)9(11)8-5-3-2-4-6-8;1-7(9)8-5-3-2-4-6-8;/h4-8H,9H2,1-3H3;5-9H,1H2,2-4H3;1-5H,6H2;2-6H,1H2;2-6H,1H3;1H4
InChIKeyYZJDELNCIWDDRI-UHFFFAOYSA-N
XLogP14.78
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.18
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane
CID 159886663
4-(1-trimethylsilyloxyethenyl)benzoic acid
CID 67591358
iron;1-phenylethanone
CID 70488357
trimethyl-[(1R,2R)-1-methyl-2-phenyl-2-trimethylsilyloxycyclopropyl]oxysilane
CID 102015524
ethane;1-phenylethanone;propan-2-one
CID 91456675
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
cis-(1R,2S)-2-phenyl-1-propan-2-yl-2-trimethylsilyloxycyclopropan-1-ol
CID 10956424
ethane;molecular hydrogen;1-phenylethanone
CID 143067772
lithium 1-phenylethanone
CID 22269591
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
1-(4-fluorophenyl)ethenoxy-trimethylsilane
CID 10398215

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane?
The IUPAC name of (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane (CID 162057382) is (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane.
What is the SMILES notation for (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane?
The canonical SMILES for (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane is C.C=C(F)C(=O)c1ccccc1.C=C(O[Si](C)(C)C)c1ccccc1.CC(=O)c1ccccc1.C[Si](C)(C)OC1(c2ccccc2)CC1(F)F.O=C(c1ccccc1)C1(F)CC1(F)F.
What is the InChIKey of (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane?
The InChIKey is YZJDELNCIWDDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2OSi.C11H16OSi.C10H7F3O.C9H7FO.C8H8O.CH4/c1-16(2,3)15-11(9-12(11,13)14)10-7-5-4-6-8-10;1-10(12-13(2,3)4)11-8-6-5-7-9-11;11-9(6-10(9,12)13)8(14)7-4-2-1-3-5-7;1-7(10)9(11)8-5-3-2-4-6-8;1-7(9)8-5-3-2-4-6-8;/h4-8H,9H2,1-3H3;5-9H,1H2,2-4H3;1-5H,6H2;2-6H,1H2;2-6H,1H3;1H4.
What are the key properties of (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane?
(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane has a molecular weight of 921.18 g/mol, XLogP of 14.78, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;2-fluoro-1-phenylprop-2-en-1-one;methane;1-phenylethanone;phenyl-(1,2,2-trifluorocyclopropyl)methanone;trimethyl(1-phenylethenoxy)silane is sourced from PubChem (CID 162057382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).