CID 177417285

C18H20F3OSi — CID 177417285

IUPAC—
SMILESCc1ccc(C(O[Si](C)C)(c2ccc(C)cc2)C(F)(F)F)cc1
InChIInChI=1S/C18H20F3OSi/c1-13-5-9-15(10-6-13)17(18(19,20)21,22-23(3)4)16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKeyFNNLUYVBFSHATQ-UHFFFAOYSA-N
MW337.44 g/mol
LogP5.38
Rot. Bonds4

About CID 177417285

CID 177417285 (PubChem CID 177417285) has the molecular formula C18H20F3OSi and a molecular weight of 337.44 g/mol.

Molecular Properties

Compound NameCID 177417285
PubChem CID177417285
Molecular FormulaC18H20F3OSi
Molecular Weight337.44 g/mol
Exact Mass337.12
IUPAC Name—
SMILESCc1ccc(C(O[Si](C)C)(c2ccc(C)cc2)C(F)(F)F)cc1
InChIInChI=1S/C18H20F3OSi/c1-13-5-9-15(10-6-13)17(18(19,20)21,22-23(3)4)16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKeyFNNLUYVBFSHATQ-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4'-bis[2-Hydroxyhexafluoroisopropyl]diphenyl
CID 137469
[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)phenyl](diphenyl)methanol
CID 16218249
alpha-[4-(Trifluoromethyl)phenyl]benzhydryl alcohol
CID 569997
2-[4-[Diethyl(methyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168271253
1,1,1,3,3,3-Hexafluoro-2-(4-triethylsilylphenyl)propan-2-ol
CID 168272454
2-[4-[Cyclohexyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168278822
2-[4-[Benzyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168281096
2-[4-[Dimethyl(prop-2-enyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282113
2-[4-[Tert-butyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282164
2-[4-[Dimethyl(phenyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168285849
1,1,1,3,3,3-Hexafluoro-2-(4-tripropylsilylphenyl)propan-2-ol
CID 168293391
Peroxide, 1-methyl-1-[(1-methylethyl)phenyl]ethyl 1-methyl-1-phenylethyl
CID 3085518

Frequently Asked Questions

What is the IUPAC name of CID 177417285?
The IUPAC name of CID 177417285 (CID 177417285) is not available.
What is the SMILES notation for CID 177417285?
The canonical SMILES for CID 177417285 is Cc1ccc(C(O[Si](C)C)(c2ccc(C)cc2)C(F)(F)F)cc1.
What is the InChIKey of CID 177417285?
The InChIKey is FNNLUYVBFSHATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3OSi/c1-13-5-9-15(10-6-13)17(18(19,20)21,22-23(3)4)16-11-7-14(2)8-12-16/h5-12H,1-4H3.
What are the key properties of CID 177417285?
CID 177417285 has a molecular weight of 337.44 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177417285 is sourced from PubChem (CID 177417285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).