ethyl 4,4,5,5-tetrafluoropent-2-enoate

C7H8F4O2 — CID 123355611

IUPACethyl 4,4,5,5-tetrafluoropent-2-enoate
SMILESCCOC(=O)C=CC(F)(F)C(F)F
InChIInChI=1S/C7H8F4O2/c1-2-13-5(12)3-4-7(10,11)6(8)9/h3-4,6H,2H2,1H3
InChIKeyBORHVHMNHGIJTF-UHFFFAOYSA-N
MW200.13 g/mol
LogP2.01
Rot. Bonds4

About ethyl 4,4,5,5-tetrafluoropent-2-enoate

ethyl 4,4,5,5-tetrafluoropent-2-enoate (PubChem CID 123355611) has the molecular formula C7H8F4O2 and a molecular weight of 200.13 g/mol. Its IUPAC name is ethyl 4,4,5,5-tetrafluoropent-2-enoate.

Molecular Properties

Compound Nameethyl 4,4,5,5-tetrafluoropent-2-enoate
PubChem CID123355611
Molecular FormulaC7H8F4O2
Molecular Weight200.13 g/mol
Exact Mass200.05
IUPAC Nameethyl 4,4,5,5-tetrafluoropent-2-enoate
SMILESCCOC(=O)C=CC(F)(F)C(F)F
InChIInChI=1S/C7H8F4O2/c1-2-13-5(12)3-4-7(10,11)6(8)9/h3-4,6H,2H2,1H3
InChIKeyBORHVHMNHGIJTF-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-amino-4-methylpent-2-enoate
CID 175544882
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (2E,4E)-6,6,7,7-tetrafluoro-2-methylhepta-2,4-dienoate
CID 15215965
ethyl 5-hydroxy-4,4-dimethylpent-2-enoate
CID 54252815
ethyl (E)-5,5,5-trifluoropent-2-enoate
CID 15104041
4-ethoxy-4-oxobut-2-eneperoxoic acid
CID 54480920
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311
2-bromopropane;diethyl but-2-enedioate
CID 158645585
ethyl 4-[(2-ethoxy-2-hydroxyethyl)amino]-4-methylpent-2-enoate
CID 175544898
ethyl (Z)-4-amino-4-oxobut-2-enoate
CID 87434500
diethyl (2E,5E)-4-oxohepta-2,5-dienedioate
CID 10922203
bis(prop-2-enyl) (E)-but-2-enedioate;diethyl (Z)-but-2-enedioate
CID 135146372

Frequently Asked Questions

What is the IUPAC name of ethyl 4,4,5,5-tetrafluoropent-2-enoate?
The IUPAC name of ethyl 4,4,5,5-tetrafluoropent-2-enoate (CID 123355611) is ethyl 4,4,5,5-tetrafluoropent-2-enoate.
What is the SMILES notation for ethyl 4,4,5,5-tetrafluoropent-2-enoate?
The canonical SMILES for ethyl 4,4,5,5-tetrafluoropent-2-enoate is CCOC(=O)C=CC(F)(F)C(F)F.
What is the InChIKey of ethyl 4,4,5,5-tetrafluoropent-2-enoate?
The InChIKey is BORHVHMNHGIJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4O2/c1-2-13-5(12)3-4-7(10,11)6(8)9/h3-4,6H,2H2,1H3.
What are the key properties of ethyl 4,4,5,5-tetrafluoropent-2-enoate?
ethyl 4,4,5,5-tetrafluoropent-2-enoate has a molecular weight of 200.13 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4,5,5-tetrafluoropent-2-enoate is sourced from PubChem (CID 123355611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).