CID 90174905

C13H18F3O2Si — CID 90174905

IUPAC—
SMILESCO[Si](CCCCCc1cc(F)c(F)cc1F)OC
InChIInChI=1S/C13H18F3O2Si/c1-17-19(18-2)7-5-3-4-6-10-8-12(15)13(16)9-11(10)14/h8-9H,3-7H2,1-2H3
InChIKeyBHGGYUJIEBLJKA-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.60
Rot. Bonds8

About CID 90174905

CID 90174905 (PubChem CID 90174905) has the molecular formula C13H18F3O2Si and a molecular weight of 291.37 g/mol.

Molecular Properties

Compound NameCID 90174905
PubChem CID90174905
Molecular FormulaC13H18F3O2Si
Molecular Weight291.37 g/mol
Exact Mass291.10
IUPAC Name—
SMILESCO[Si](CCCCCc1cc(F)c(F)cc1F)OC
InChIInChI=1S/C13H18F3O2Si/c1-17-19(18-2)7-5-3-4-6-10-8-12(15)13(16)9-11(10)14/h8-9H,3-7H2,1-2H3
InChIKeyBHGGYUJIEBLJKA-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 90170957
CID 90170957
dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
CID 90172605
trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane
CID 90174504
N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103304826
CID 90170880
CID 90170880
methyl 4-(2,4,5-trifluorophenyl)butanimidate
CID 129041026
2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine
CID 175548510
triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170821
hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90174072
CID 90170885
CID 90170885
tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90171416
1,2,4-trifluoro-5-[4-(tripropoxymethyl)dodecyl]benzene
CID 172700843

Frequently Asked Questions

What is the IUPAC name of CID 90174905?
The IUPAC name of CID 90174905 (CID 90174905) is not available.
What is the SMILES notation for CID 90174905?
The canonical SMILES for CID 90174905 is CO[Si](CCCCCc1cc(F)c(F)cc1F)OC.
What is the InChIKey of CID 90174905?
The InChIKey is BHGGYUJIEBLJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3O2Si/c1-17-19(18-2)7-5-3-4-6-10-8-12(15)13(16)9-11(10)14/h8-9H,3-7H2,1-2H3.
What are the key properties of CID 90174905?
CID 90174905 has a molecular weight of 291.37 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90174905 is sourced from PubChem (CID 90174905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).