CID 90171123

C9H9F3O3Si — CID 90171123

IUPAC—
SMILESOC(O)O[Si]CCc1cc(F)c(F)cc1F
InChIInChI=1S/C9H9F3O3Si/c10-6-4-8(12)7(11)3-5(6)1-2-16-15-9(13)14/h3-4,9,13-14H,1-2H2
InChIKeyRKAIFRZNSQLZCS-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.97
Rot. Bonds5

About CID 90171123

CID 90171123 (PubChem CID 90171123) has the molecular formula C9H9F3O3Si and a molecular weight of 250.25 g/mol.

Molecular Properties

Compound NameCID 90171123
PubChem CID90171123
Molecular FormulaC9H9F3O3Si
Molecular Weight250.25 g/mol
Exact Mass250.03
IUPAC Name—
SMILESOC(O)O[Si]CCc1cc(F)c(F)cc1F
InChIInChI=1S/C9H9F3O3Si/c10-6-4-8(12)7(11)3-5(6)1-2-16-15-9(13)14/h3-4,9,13-14H,1-2H2
InChIKeyRKAIFRZNSQLZCS-UHFFFAOYSA-N
XLogP0.97
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 90174869
CID 90174869
CID 90170885
CID 90170885
2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine
CID 103304871
(2R)-2-amino-3-(2,4,5-trifluorophenyl)propane-1,1-diol
CID 118888699
hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90174072
4-(2,4,5-trifluorophenyl)butan-2-ylcarbamic acid
CID 90734315
hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90172693
2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol
CID 130874631
phosphoric acid;4-(2,4,5-trifluorophenyl)butan-2-amine;hydrate
CID 89253544
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
4-amino-5-(2,4,5-trifluorophenyl)pentan-2-one
CID 76606923
2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 102795122

Frequently Asked Questions

What is the IUPAC name of CID 90171123?
The IUPAC name of CID 90171123 (CID 90171123) is not available.
What is the SMILES notation for CID 90171123?
The canonical SMILES for CID 90171123 is OC(O)O[Si]CCc1cc(F)c(F)cc1F.
What is the InChIKey of CID 90171123?
The InChIKey is RKAIFRZNSQLZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O3Si/c10-6-4-8(12)7(11)3-5(6)1-2-16-15-9(13)14/h3-4,9,13-14H,1-2H2.
What are the key properties of CID 90171123?
CID 90171123 has a molecular weight of 250.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90171123 is sourced from PubChem (CID 90171123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).