CID 90170888

C17H24F5NO3Si — CID 90170888

IUPAC—
SMILESCC(C)OC(O[Si]CCCCN(F)c1cc(F)c(F)c(F)c1F)OC(C)C
InChIInChI=1S/C17H24F5NO3Si/c1-10(2)24-17(25-11(3)4)26-27-8-6-5-7-23(22)13-9-12(18)14(19)16(21)15(13)20/h9-11,17H,5-8H2,1-4H3
InChIKeyQTHONUAKLRXGTR-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.90
Rot. Bonds12

About CID 90170888

CID 90170888 (PubChem CID 90170888) has the molecular formula C17H24F5NO3Si and a molecular weight of 413.46 g/mol.

Molecular Properties

Compound NameCID 90170888
PubChem CID90170888
Molecular FormulaC17H24F5NO3Si
Molecular Weight413.46 g/mol
Exact Mass413.14
IUPAC Name—
SMILESCC(C)OC(O[Si]CCCCN(F)c1cc(F)c(F)c(F)c1F)OC(C)C
InChIInChI=1S/C17H24F5NO3Si/c1-10(2)24-17(25-11(3)4)26-27-8-6-5-7-23(22)13-9-12(18)14(19)16(21)15(13)20/h9-11,17H,5-8H2,1-4H3
InChIKeyQTHONUAKLRXGTR-UHFFFAOYSA-N
XLogP4.90
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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CID 90175207
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CID 90174869
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CID 90172809
CID 90172645
CID 90172645
[3-(N,2,3,4,5-pentafluoroanilino)propyl-di(propanoyloxy)silyl] propanoate
CID 90172480
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 90170885
CID 90170885
CID 90174264
CID 90174264
di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane
CID 154173325
1,3-difluoro-1-(2,3,4-trifluorophenyl)-3-[4-tri(propan-2-yloxy)silylbutyl]urea
CID 90170842
N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline
CID 22638279

Frequently Asked Questions

What is the IUPAC name of CID 90170888?
The IUPAC name of CID 90170888 (CID 90170888) is not available.
What is the SMILES notation for CID 90170888?
The canonical SMILES for CID 90170888 is CC(C)OC(O[Si]CCCCN(F)c1cc(F)c(F)c(F)c1F)OC(C)C.
What is the InChIKey of CID 90170888?
The InChIKey is QTHONUAKLRXGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F5NO3Si/c1-10(2)24-17(25-11(3)4)26-27-8-6-5-7-23(22)13-9-12(18)14(19)16(21)15(13)20/h9-11,17H,5-8H2,1-4H3.
What are the key properties of CID 90170888?
CID 90170888 has a molecular weight of 413.46 g/mol, XLogP of 4.90, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90170888 is sourced from PubChem (CID 90170888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).