methoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate

C10H14F2O5 — CID 58241632

IUPACmethoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate
SMILESC=C(C)C(=O)OC(C)C(F)(F)C(=O)OCOC
InChIInChI=1S/C10H14F2O5/c1-6(2)8(13)17-7(3)10(11,12)9(14)16-5-15-4/h7H,1,5H2,2-4H3
InChIKeySISCRVPXUXOWBU-UHFFFAOYSA-N
MW252.21 g/mol
LogP1.28
Rot. Bonds6

About methoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate

methoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate (PubChem CID 58241632) has the molecular formula C10H14F2O5 and a molecular weight of 252.21 g/mol. Its IUPAC name is methoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate.

Molecular Properties

Compound Namemethoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate
PubChem CID58241632
Molecular FormulaC10H14F2O5
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Namemethoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate
SMILESC=C(C)C(=O)OC(C)C(F)(F)C(=O)OCOC
InChIInChI=1S/C10H14F2O5/c1-6(2)8(13)17-7(3)10(11,12)9(14)16-5-15-4/h7H,1,5H2,2-4H3
InChIKeySISCRVPXUXOWBU-UHFFFAOYSA-N
XLogP1.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate?
The IUPAC name of methoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate (CID 58241632) is methoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate.
What is the SMILES notation for methoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate?
The canonical SMILES for methoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate is C=C(C)C(=O)OC(C)C(F)(F)C(=O)OCOC.
What is the InChIKey of methoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate?
The InChIKey is SISCRVPXUXOWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O5/c1-6(2)8(13)17-7(3)10(11,12)9(14)16-5-15-4/h7H,1,5H2,2-4H3.
What are the key properties of methoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate?
methoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate has a molecular weight of 252.21 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate is sourced from PubChem (CID 58241632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).