(2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate

C8H12F2O3 — CID 58391835

IUPAC(2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate
SMILESCC1(COC(=O)C(C)(F)F)CCO1
InChIInChI=1S/C8H12F2O3/c1-7(3-4-13-7)5-12-6(11)8(2,9)10/h3-5H2,1-2H3
InChIKeySLKZQZNRUQYPKH-UHFFFAOYSA-N
MW194.18 g/mol
LogP1.36
Rot. Bonds3

About (2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate

(2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate (PubChem CID 58391835) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is (2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name(2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate
PubChem CID58391835
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate
SMILESCC1(COC(=O)C(C)(F)F)CCO1
InChIInChI=1S/C8H12F2O3/c1-7(3-4-13-7)5-12-6(11)8(2,9)10/h3-5H2,1-2H3
InChIKeySLKZQZNRUQYPKH-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate?
The IUPAC name of (2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate (CID 58391835) is (2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate.
What is the SMILES notation for (2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate?
The canonical SMILES for (2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate is CC1(COC(=O)C(C)(F)F)CCO1.
What is the InChIKey of (2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate?
The InChIKey is SLKZQZNRUQYPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O3/c1-7(3-4-13-7)5-12-6(11)8(2,9)10/h3-5H2,1-2H3.
What are the key properties of (2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate?
(2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate has a molecular weight of 194.18 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate is sourced from PubChem (CID 58391835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).