fluoro 2-methyloxane-4-carboxylate

C7H11FO3 — CID 114986646

IUPACfluoro 2-methyloxane-4-carboxylate
SMILESCC1CC(C(=O)OF)CCO1
InChIInChI=1S/C7H11FO3/c1-5-4-6(2-3-10-5)7(9)11-8/h5-6H,2-4H2,1H3
InChIKeyHASCOIPTLWLIBU-UHFFFAOYSA-N
MW162.16 g/mol
LogP1.23
Rot. Bonds1

About fluoro 2-methyloxane-4-carboxylate

fluoro 2-methyloxane-4-carboxylate (PubChem CID 114986646) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is fluoro 2-methyloxane-4-carboxylate.

Molecular Properties

Compound Namefluoro 2-methyloxane-4-carboxylate
PubChem CID114986646
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Namefluoro 2-methyloxane-4-carboxylate
SMILESCC1CC(C(=O)OF)CCO1
InChIInChI=1S/C7H11FO3/c1-5-4-6(2-3-10-5)7(9)11-8/h5-6H,2-4H2,1H3
InChIKeyHASCOIPTLWLIBU-UHFFFAOYSA-N
XLogP1.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-methyloxane-4-carboxylate?
The IUPAC name of fluoro 2-methyloxane-4-carboxylate (CID 114986646) is fluoro 2-methyloxane-4-carboxylate.
What is the SMILES notation for fluoro 2-methyloxane-4-carboxylate?
The canonical SMILES for fluoro 2-methyloxane-4-carboxylate is CC1CC(C(=O)OF)CCO1.
What is the InChIKey of fluoro 2-methyloxane-4-carboxylate?
The InChIKey is HASCOIPTLWLIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c1-5-4-6(2-3-10-5)7(9)11-8/h5-6H,2-4H2,1H3.
What are the key properties of fluoro 2-methyloxane-4-carboxylate?
fluoro 2-methyloxane-4-carboxylate has a molecular weight of 162.16 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methyloxane-4-carboxylate is sourced from PubChem (CID 114986646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).