CID 87533777

C9H8F5O2Si — CID 87533777

IUPAC—
SMILESCO[Si](Cc1c(F)c(F)c(F)c(F)c1F)OC
InChIInChI=1S/C9H8F5O2Si/c1-15-17(16-2)3-4-5(10)7(12)9(14)8(13)6(4)11/h3H2,1-2H3
InChIKeyOQTZCVKZWGXGJK-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.24
Rot. Bonds4

About CID 87533777

CID 87533777 (PubChem CID 87533777) has the molecular formula C9H8F5O2Si and a molecular weight of 271.24 g/mol.

Molecular Properties

Compound NameCID 87533777
PubChem CID87533777
Molecular FormulaC9H8F5O2Si
Molecular Weight271.24 g/mol
Exact Mass271.02
IUPAC Name—
SMILESCO[Si](Cc1c(F)c(F)c(F)c(F)c1F)OC
InChIInChI=1S/C9H8F5O2Si/c1-15-17(16-2)3-4-5(10)7(12)9(14)8(13)6(4)11/h3H2,1-2H3
InChIKeyOQTZCVKZWGXGJK-UHFFFAOYSA-N
XLogP2.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentafluoro-6-(methylperoxymethyl)benzene
CID 58861663
1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene
CID 12954709
1,2,3,4,5-pentafluoro-6-(3-methylbut-2-enyl)benzene
CID 11253334
dimethyl-bis[(2,3,4,5,6-pentafluorophenyl)methyl]azanium
CID 102098933
dimethoxy-methyl-[5-(2,3,4,5,6-pentafluorophenyl)pentyl]silane
CID 90172442
dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane
CID 90173798
methyl (2S)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoate
CID 101254034
butane;(2,3,4,5,6-pentafluorophenyl)methanamine
CID 175415233
1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyloxysulfanylmethyl]benzene
CID 174586735
1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene
CID 91553532
2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate
CID 91727445
ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
CID 90170270

Frequently Asked Questions

What is the IUPAC name of CID 87533777?
The IUPAC name of CID 87533777 (CID 87533777) is not available.
What is the SMILES notation for CID 87533777?
The canonical SMILES for CID 87533777 is CO[Si](Cc1c(F)c(F)c(F)c(F)c1F)OC.
What is the InChIKey of CID 87533777?
The InChIKey is OQTZCVKZWGXGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5O2Si/c1-15-17(16-2)3-4-5(10)7(12)9(14)8(13)6(4)11/h3H2,1-2H3.
What are the key properties of CID 87533777?
CID 87533777 has a molecular weight of 271.24 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87533777 is sourced from PubChem (CID 87533777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).