dinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate

C34H31FO2 — CID 102204034

IUPACdinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate
SMILESCC(C)(C)c1ccc([C@@](C)(F)C(=O)OC(c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C34H31FO2/c1-33(2,3)25-19-21-26(22-20-25)34(4,35)32(36)37-31(29-17-9-13-23-11-5-7-15-27(23)29)30-18-10-14-24-12-6-8-16-28(24)30/h5-22,31H,1-4H3/t34-/m1/s1
InChIKeyXUHMUIHLMSTIOO-UUWRZZSWSA-N
MW490.62 g/mol
LogP8.81
Rot. Bonds5

About dinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate

dinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate (PubChem CID 102204034) has the molecular formula C34H31FO2 and a molecular weight of 490.62 g/mol. Its IUPAC name is dinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate.

Molecular Properties

Compound Namedinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate
PubChem CID102204034
Molecular FormulaC34H31FO2
Molecular Weight490.62 g/mol
Exact Mass490.23
IUPAC Namedinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate
SMILESCC(C)(C)c1ccc([C@@](C)(F)C(=O)OC(c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C34H31FO2/c1-33(2,3)25-19-21-26(22-20-25)34(4,35)32(36)37-31(29-17-9-13-23-11-5-7-15-27(23)29)30-18-10-14-24-12-6-8-16-28(24)30/h5-22,31H,1-4H3/t34-/m1/s1
InChIKeyXUHMUIHLMSTIOO-UUWRZZSWSA-N
XLogP8.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.62
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dinaphthalen-1-ylmethyl 2-methyl-3-oxobutanoate
CID 102414342
[[2-[2,2-dimethylpropanoyloxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-naphthalen-1-ylmethyl] 2,2-dimethylpropanoate
CID 71618874
dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate
CID 166440080
1,1,1-trifluoro-3-naphthalen-1-ylpentane-2,4-dione
CID 174295450
dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate
CID 132510045
dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate
CID 121278698
dinaphthalen-1-ylmethyl (2R)-2-(2-iodophenoxy)propanoate
CID 166440084
dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate
CID 134958177
dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 102204031
[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
CID 174374928
2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine
CID 84752961

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate?
The IUPAC name of dinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate (CID 102204034) is dinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate.
What is the SMILES notation for dinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate?
The canonical SMILES for dinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate is CC(C)(C)c1ccc([C@@](C)(F)C(=O)OC(c2cccc3ccccc23)c2cccc3ccccc23)cc1.
What is the InChIKey of dinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate?
The InChIKey is XUHMUIHLMSTIOO-UUWRZZSWSA-N. The full InChI is InChI=1S/C34H31FO2/c1-33(2,3)25-19-21-26(22-20-25)34(4,35)32(36)37-31(29-17-9-13-23-11-5-7-15-27(23)29)30-18-10-14-24-12-6-8-16-28(24)30/h5-22,31H,1-4H3/t34-/m1/s1.
What are the key properties of dinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate?
dinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate has a molecular weight of 490.62 g/mol, XLogP of 8.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-1-ylmethyl (2R)-2-(4-tert-butylphenyl)-2-fluoropropanoate is sourced from PubChem (CID 102204034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).