2-methylpropyl 2-fluoroacetate

C6H11FO2 — CID 140916121

IUPAC2-methylpropyl 2-fluoroacetate
SMILESCC(C)COC(=O)CF
InChIInChI=1S/C6H11FO2/c1-5(2)4-9-6(8)3-7/h5H,3-4H2,1-2H3
InChIKeyIUVNEAGUVHAZDR-UHFFFAOYSA-N
MW134.15 g/mol
LogP1.16
Rot. Bonds3

About 2-methylpropyl 2-fluoroacetate

2-methylpropyl 2-fluoroacetate (PubChem CID 140916121) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is 2-methylpropyl 2-fluoroacetate.

Molecular Properties

Compound Name2-methylpropyl 2-fluoroacetate
PubChem CID140916121
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name2-methylpropyl 2-fluoroacetate
SMILESCC(C)COC(=O)CF
InChIInChI=1S/C6H11FO2/c1-5(2)4-9-6(8)3-7/h5H,3-4H2,1-2H3
InChIKeyIUVNEAGUVHAZDR-UHFFFAOYSA-N
XLogP1.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-fluoroacetate?
The IUPAC name of 2-methylpropyl 2-fluoroacetate (CID 140916121) is 2-methylpropyl 2-fluoroacetate.
What is the SMILES notation for 2-methylpropyl 2-fluoroacetate?
The canonical SMILES for 2-methylpropyl 2-fluoroacetate is CC(C)COC(=O)CF.
What is the InChIKey of 2-methylpropyl 2-fluoroacetate?
The InChIKey is IUVNEAGUVHAZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c1-5(2)4-9-6(8)3-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-methylpropyl 2-fluoroacetate?
2-methylpropyl 2-fluoroacetate has a molecular weight of 134.15 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-fluoroacetate is sourced from PubChem (CID 140916121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).