ethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate

C11H16F2O3 — CID 86690122

IUPACethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate
SMILESC=CCOC(C)(C(=O)OCC)C(F)(F)C=C
InChIInChI=1S/C11H16F2O3/c1-5-8-16-10(4,9(14)15-7-3)11(12,13)6-2/h5-6H,1-2,7-8H2,3-4H3
InChIKeySAUYEVFDTRXMPI-UHFFFAOYSA-N
MW234.24 g/mol
LogP2.33
Rot. Bonds7

About ethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate

ethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate (PubChem CID 86690122) has the molecular formula C11H16F2O3 and a molecular weight of 234.24 g/mol. Its IUPAC name is ethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate.

Molecular Properties

Compound Nameethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate
PubChem CID86690122
Molecular FormulaC11H16F2O3
Molecular Weight234.24 g/mol
Exact Mass234.11
IUPAC Nameethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate
SMILESC=CCOC(C)(C(=O)OCC)C(F)(F)C=C
InChIInChI=1S/C11H16F2O3/c1-5-8-16-10(4,9(14)15-7-3)11(12,13)6-2/h5-6H,1-2,7-8H2,3-4H3
InChIKeySAUYEVFDTRXMPI-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate?
The IUPAC name of ethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate (CID 86690122) is ethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate.
What is the SMILES notation for ethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate?
The canonical SMILES for ethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate is C=CCOC(C)(C(=O)OCC)C(F)(F)C=C.
What is the InChIKey of ethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate?
The InChIKey is SAUYEVFDTRXMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O3/c1-5-8-16-10(4,9(14)15-7-3)11(12,13)6-2/h5-6H,1-2,7-8H2,3-4H3.
What are the key properties of ethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate?
ethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate has a molecular weight of 234.24 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-difluoro-2-methyl-2-prop-2-enoxypent-4-enoate is sourced from PubChem (CID 86690122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).