CID 90171923

C15H23F2O3Si — CID 90171923

IUPAC—
SMILESCO[Si](OC)OC(C)CCCCCc1ccc(F)cc1F
InChIInChI=1S/C15H23F2O3Si/c1-12(20-21(18-2)19-3)7-5-4-6-8-13-9-10-14(16)11-15(13)17/h9-12H,4-8H2,1-3H3
InChIKeyQEZZUOZQERTZFH-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.75
Rot. Bonds10

About CID 90171923

CID 90171923 (PubChem CID 90171923) has the molecular formula C15H23F2O3Si and a molecular weight of 317.43 g/mol.

Molecular Properties

Compound NameCID 90171923
PubChem CID90171923
Molecular FormulaC15H23F2O3Si
Molecular Weight317.43 g/mol
Exact Mass317.14
IUPAC Name—
SMILESCO[Si](OC)OC(C)CCCCCc1ccc(F)cc1F
InChIInChI=1S/C15H23F2O3Si/c1-12(20-21(18-2)19-3)7-5-4-6-8-13-9-10-14(16)11-15(13)17/h9-12H,4-8H2,1-3H3
InChIKeyQEZZUOZQERTZFH-UHFFFAOYSA-N
XLogP3.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 90172853
CID 90172853
5-(2,4-difluorophenyl)pentan-2-ol
CID 64516740
5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane
CID 90174590
6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
CID 90172610
2,4-difluoro-1-pentylbenzene
CID 20770613
5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane
CID 90172058
4-(2,4-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
CID 90172191
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825
5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane
CID 90173469
4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane
CID 90170935
1-[3-[di(propan-2-yloxy)methoxy]dodecyl]-2,4-difluorobenzene
CID 151687502
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702

Frequently Asked Questions

What is the IUPAC name of CID 90171923?
The IUPAC name of CID 90171923 (CID 90171923) is not available.
What is the SMILES notation for CID 90171923?
The canonical SMILES for CID 90171923 is CO[Si](OC)OC(C)CCCCCc1ccc(F)cc1F.
What is the InChIKey of CID 90171923?
The InChIKey is QEZZUOZQERTZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2O3Si/c1-12(20-21(18-2)19-3)7-5-4-6-8-13-9-10-14(16)11-15(13)17/h9-12H,4-8H2,1-3H3.
What are the key properties of CID 90171923?
CID 90171923 has a molecular weight of 317.43 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90171923 is sourced from PubChem (CID 90171923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).