di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane

C19H22F4O3Si — CID 154173325

IUPACdi(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane
SMILESCC(C)OC(O[SiH2]c1ccc(-c2cc(F)c(F)c(F)c2F)cc1)OC(C)C
InChIInChI=1S/C19H22F4O3Si/c1-10(2)24-19(25-11(3)4)26-27-13-7-5-12(6-8-13)14-9-15(20)17(22)18(23)16(14)21/h5-11,19H,27H2,1-4H3
InChIKeySENIBCSPMRGJEA-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.77
Rot. Bonds8

About di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane

di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane (PubChem CID 154173325) has the molecular formula C19H22F4O3Si and a molecular weight of 402.46 g/mol. Its IUPAC name is di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane.

Molecular Properties

Compound Namedi(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane
PubChem CID154173325
Molecular FormulaC19H22F4O3Si
Molecular Weight402.46 g/mol
Exact Mass402.13
IUPAC Namedi(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane
SMILESCC(C)OC(O[SiH2]c1ccc(-c2cc(F)c(F)c(F)c2F)cc1)OC(C)C
InChIInChI=1S/C19H22F4O3Si/c1-10(2)24-19(25-11(3)4)26-27-13-7-5-12(6-8-13)14-9-15(20)17(22)18(23)16(14)21/h5-11,19H,27H2,1-4H3
InChIKeySENIBCSPMRGJEA-UHFFFAOYSA-N
XLogP3.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.77
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

di(propan-2-yloxy)methoxy-[4-(4-fluorophenyl)phenyl]silane
CID 154209613
di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 154500746
di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 154500752
CID 90174844
CID 90174844
4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol
CID 174494101
CID 90175207
CID 90175207
CID 90174264
CID 90174264
11,31,45,55-tetrafluoroundecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
CID 140924255
CID 90171138
CID 90171138
1-[2-chloro-4-(2,3,4-trifluorophenyl)phenyl]-N-methylethanamine
CID 82781900
(2S)-2-(2,6-difluorophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 95001782
1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene
CID 54541075

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane?
The IUPAC name of di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane (CID 154173325) is di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane.
What is the SMILES notation for di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane?
The canonical SMILES for di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane is CC(C)OC(O[SiH2]c1ccc(-c2cc(F)c(F)c(F)c2F)cc1)OC(C)C.
What is the InChIKey of di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane?
The InChIKey is SENIBCSPMRGJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4O3Si/c1-10(2)24-19(25-11(3)4)26-27-13-7-5-12(6-8-13)14-9-15(20)17(22)18(23)16(14)21/h5-11,19H,27H2,1-4H3.
What are the key properties of di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane?
di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane has a molecular weight of 402.46 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane is sourced from PubChem (CID 154173325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).