2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate

C14H18F2O3 — CID 170143455

IUPAC2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(C)(C)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C14H18F2O3/c1-13(2,3)12(18)19-14(4,5)8-6-9(15)11(17)10(16)7-8/h6-7,17H,1-5H3
InChIKeyCLNVSWUABFSOBQ-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.49
Rot. Bonds2

About 2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate

2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate (PubChem CID 170143455) has the molecular formula C14H18F2O3 and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate
PubChem CID170143455
Molecular FormulaC14H18F2O3
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Name2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(C)(C)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C14H18F2O3/c1-13(2,3)12(18)19-14(4,5)8-6-9(15)11(17)10(16)7-8/h6-7,17H,1-5H3
InChIKeyCLNVSWUABFSOBQ-UHFFFAOYSA-N
XLogP3.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate?
The IUPAC name of 2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate (CID 170143455) is 2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate?
The canonical SMILES for 2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC(C)(C)c1cc(F)c(O)c(F)c1.
What is the InChIKey of 2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate?
The InChIKey is CLNVSWUABFSOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O3/c1-13(2,3)12(18)19-14(4,5)8-6-9(15)11(17)10(16)7-8/h6-7,17H,1-5H3.
What are the key properties of 2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate?
2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate has a molecular weight of 272.29 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 170143455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).