3-fluoro-3-methyl-5,5-diphenyloxane

C18H19FO — CID 122380282

IUPAC3-fluoro-3-methyl-5,5-diphenyloxane
SMILESCC1(F)COCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C18H19FO/c1-17(19)12-18(14-20-13-17,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyHBRFBVKTUQYIRZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.12
Rot. Bonds2

About 3-fluoro-3-methyl-5,5-diphenyloxane

3-fluoro-3-methyl-5,5-diphenyloxane (PubChem CID 122380282) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-fluoro-3-methyl-5,5-diphenyloxane.

Molecular Properties

Compound Name3-fluoro-3-methyl-5,5-diphenyloxane
PubChem CID122380282
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name3-fluoro-3-methyl-5,5-diphenyloxane
SMILESCC1(F)COCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C18H19FO/c1-17(19)12-18(14-20-13-17,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyHBRFBVKTUQYIRZ-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(6-Hydroxy-5-methyl-5-phenylhexoxy)-2,2-dimethylhexan-1-ol
CID 11772060
Bis(ethylphenyl)ether
CID 111709
Tetrahydro-3,4-diphenylfuran
CID 296785
5-(5-Hydroxy-4-methyl-4-phenylpentyloxy)-2-methyl-2-phenylpentan-1-ol
CID 11326187
6-(5-Hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol
CID 11474604
6-(6-Hydroxy-5-methyl-5-phenylhexyloxy)-2-methyl-2-phenylhexan-1-ol
CID 11749901
2-(2-Ethoxyethyl)-1,1'-biphenyl
CID 3023481
Bis-(3-phenylpropyl)-ether
CID 345938
3,4-Diphenyltetrahydrofuran, cis-
CID 44403754
2,2-Diphenylpent-4-en-1-ol
CID 316755
2,2,2-Triphenylethanol
CID 243894
1,1'-(2-Methoxyethane-1,1-diyl)dibenzene
CID 254520

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-5,5-diphenyloxane?
The IUPAC name of 3-fluoro-3-methyl-5,5-diphenyloxane (CID 122380282) is 3-fluoro-3-methyl-5,5-diphenyloxane.
What is the SMILES notation for 3-fluoro-3-methyl-5,5-diphenyloxane?
The canonical SMILES for 3-fluoro-3-methyl-5,5-diphenyloxane is CC1(F)COCC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 3-fluoro-3-methyl-5,5-diphenyloxane?
The InChIKey is HBRFBVKTUQYIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-17(19)12-18(14-20-13-17,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3.
What are the key properties of 3-fluoro-3-methyl-5,5-diphenyloxane?
3-fluoro-3-methyl-5,5-diphenyloxane has a molecular weight of 270.35 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-5,5-diphenyloxane is sourced from PubChem (CID 122380282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).