1-fluoropropan-2-yl 2,2-dimethylpropanoate

C8H15FO2 — CID 89491540

IUPAC1-fluoropropan-2-yl 2,2-dimethylpropanoate
SMILESCC(CF)OC(=O)C(C)(C)C
InChIInChI=1S/C8H15FO2/c1-6(5-9)11-7(10)8(2,3)4/h6H,5H2,1-4H3
InChIKeyIEAJSPFUYFOYJV-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.93
Rot. Bonds2

About 1-fluoropropan-2-yl 2,2-dimethylpropanoate

1-fluoropropan-2-yl 2,2-dimethylpropanoate (PubChem CID 89491540) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1-fluoropropan-2-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name1-fluoropropan-2-yl 2,2-dimethylpropanoate
PubChem CID89491540
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name1-fluoropropan-2-yl 2,2-dimethylpropanoate
SMILESCC(CF)OC(=O)C(C)(C)C
InChIInChI=1S/C8H15FO2/c1-6(5-9)11-7(10)8(2,3)4/h6H,5H2,1-4H3
InChIKeyIEAJSPFUYFOYJV-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropropan-2-yl 2,2-dimethylpropanoate?
The IUPAC name of 1-fluoropropan-2-yl 2,2-dimethylpropanoate (CID 89491540) is 1-fluoropropan-2-yl 2,2-dimethylpropanoate.
What is the SMILES notation for 1-fluoropropan-2-yl 2,2-dimethylpropanoate?
The canonical SMILES for 1-fluoropropan-2-yl 2,2-dimethylpropanoate is CC(CF)OC(=O)C(C)(C)C.
What is the InChIKey of 1-fluoropropan-2-yl 2,2-dimethylpropanoate?
The InChIKey is IEAJSPFUYFOYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-6(5-9)11-7(10)8(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 1-fluoropropan-2-yl 2,2-dimethylpropanoate?
1-fluoropropan-2-yl 2,2-dimethylpropanoate has a molecular weight of 162.20 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropan-2-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 89491540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).