(3-hydroxy-2-methylpropyl) 2-fluoroacetate

C6H11FO3 — CID 90991190

IUPAC(3-hydroxy-2-methylpropyl) 2-fluoroacetate
SMILESCC(CO)COC(=O)CF
InChIInChI=1S/C6H11FO3/c1-5(3-8)4-10-6(9)2-7/h5,8H,2-4H2,1H3
InChIKeyDICWQNFOQXNOPF-UHFFFAOYSA-N
MW150.15 g/mol
LogP0.13
Rot. Bonds4

About (3-hydroxy-2-methylpropyl) 2-fluoroacetate

(3-hydroxy-2-methylpropyl) 2-fluoroacetate (PubChem CID 90991190) has the molecular formula C6H11FO3 and a molecular weight of 150.15 g/mol. Its IUPAC name is (3-hydroxy-2-methylpropyl) 2-fluoroacetate.

Molecular Properties

Compound Name(3-hydroxy-2-methylpropyl) 2-fluoroacetate
PubChem CID90991190
Molecular FormulaC6H11FO3
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name(3-hydroxy-2-methylpropyl) 2-fluoroacetate
SMILESCC(CO)COC(=O)CF
InChIInChI=1S/C6H11FO3/c1-5(3-8)4-10-6(9)2-7/h5,8H,2-4H2,1H3
InChIKeyDICWQNFOQXNOPF-UHFFFAOYSA-N
XLogP0.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methylpropyl) 2-fluoroacetate?
The IUPAC name of (3-hydroxy-2-methylpropyl) 2-fluoroacetate (CID 90991190) is (3-hydroxy-2-methylpropyl) 2-fluoroacetate.
What is the SMILES notation for (3-hydroxy-2-methylpropyl) 2-fluoroacetate?
The canonical SMILES for (3-hydroxy-2-methylpropyl) 2-fluoroacetate is CC(CO)COC(=O)CF.
What is the InChIKey of (3-hydroxy-2-methylpropyl) 2-fluoroacetate?
The InChIKey is DICWQNFOQXNOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3/c1-5(3-8)4-10-6(9)2-7/h5,8H,2-4H2,1H3.
What are the key properties of (3-hydroxy-2-methylpropyl) 2-fluoroacetate?
(3-hydroxy-2-methylpropyl) 2-fluoroacetate has a molecular weight of 150.15 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methylpropyl) 2-fluoroacetate is sourced from PubChem (CID 90991190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).