CID 90170957

C14H20F3O3Si — CID 90170957

IUPAC—
SMILESCO[Si](OC)OCCCCCCc1cc(F)c(F)cc1F
InChIInChI=1S/C14H20F3O3Si/c1-18-21(19-2)20-8-6-4-3-5-7-11-9-13(16)14(17)10-12(11)15/h9-10H,3-8H2,1-2H3
InChIKeyNUJROOIQMZGLIO-UHFFFAOYSA-N
MW321.39 g/mol
LogP3.50
Rot. Bonds10

About CID 90170957

CID 90170957 (PubChem CID 90170957) has the molecular formula C14H20F3O3Si and a molecular weight of 321.39 g/mol.

Molecular Properties

Compound NameCID 90170957
PubChem CID90170957
Molecular FormulaC14H20F3O3Si
Molecular Weight321.39 g/mol
Exact Mass321.11
IUPAC Name—
SMILESCO[Si](OC)OCCCCCCc1cc(F)c(F)cc1F
InChIInChI=1S/C14H20F3O3Si/c1-18-21(19-2)20-8-6-4-3-5-7-11-9-13(16)14(17)10-12(11)15/h9-10H,3-8H2,1-2H3
InChIKeyNUJROOIQMZGLIO-UHFFFAOYSA-N
XLogP3.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 90174905
CID 90174905
dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
CID 90172605
CID 90172032
CID 90172032
CID 90173736
CID 90173736
hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90174072
trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane
CID 90174504
N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103304826
tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170924
CID 90171923
CID 90171923
1,2,4-trifluoro-5-[4-(tripropoxymethyl)dodecyl]benzene
CID 172700843
CID 90170880
CID 90170880
methyl 4-(2,4,5-trifluorophenyl)butanimidate
CID 129041026

Frequently Asked Questions

What is the IUPAC name of CID 90170957?
The IUPAC name of CID 90170957 (CID 90170957) is not available.
What is the SMILES notation for CID 90170957?
The canonical SMILES for CID 90170957 is CO[Si](OC)OCCCCCCc1cc(F)c(F)cc1F.
What is the InChIKey of CID 90170957?
The InChIKey is NUJROOIQMZGLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3O3Si/c1-18-21(19-2)20-8-6-4-3-5-7-11-9-13(16)14(17)10-12(11)15/h9-10H,3-8H2,1-2H3.
What are the key properties of CID 90170957?
CID 90170957 has a molecular weight of 321.39 g/mol, XLogP of 3.50, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90170957 is sourced from PubChem (CID 90170957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).