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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Related Compounds

methyl 2-(trifluoromethyl)-3,6-dihydro-2H-pyran-2-carboxylate
CID 4920697
Tert-butyl 2-[1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-yl]oxyacetate
CID 20756304
2-Allyloxy-2-trifluoromethyl-but-3-enoic acid ethyl ester
CID 58333155
tert-Butyl 2-(1,1,1-trifluorobut-3-en-2-yloxy)acetate
CID 86668365
tert-butyl {[(2S)-1,1,1-trifluorobut-3-en-2-yl]oxy}acetate
CID 86668885
ethyl 3,3-difluoro-2-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 86690124
2-(3-Methylhexa-1,5-dien-3-yloxy)propyl 2-methyl-2-[2-methyl-3-(2,2,2-trifluoroacetyl)oxypropoxy]propanoate
CID 90855091
2-Methoxy-2-(trifluoromethyl)-4-pentenoic acid methyl ester
CID 102421738
Methyl 3-methylidene-2-(2-methyl-4-methylidenehex-5-en-2-yl)oxy-4-(trifluoromethyl)pent-4-enoate
CID 123210530
tert-butyl 2-[(1E)-4-(trifluoromethoxy)hexa-1,5-dienoxy]acetate
CID 163995682
ethyl 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-(trifluoromethyl)pent-4-enoate
CID 169137435
Methyl 2-propan-2-yloxy-2-(trifluoromethyl)but-3-enoate
CID 171417849

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).