ethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate

C9H15FO2 — CID 138978243

IUPACethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate
SMILESCCOC(=O)/C=C(\F)C(C)(C)C
InChIInChI=1S/C9H15FO2/c1-5-12-8(11)6-7(10)9(2,3)4/h6H,5H2,1-4H3/b7-6-
InChIKeyOEHDFASHJAFCHA-SREVYHEPSA-N
MW174.21 g/mol
LogP2.45
Rot. Bonds2

About ethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate

ethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate (PubChem CID 138978243) has the molecular formula C9H15FO2 and a molecular weight of 174.21 g/mol. Its IUPAC name is ethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate
PubChem CID138978243
Molecular FormulaC9H15FO2
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Nameethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate
SMILESCCOC(=O)/C=C(\F)C(C)(C)C
InChIInChI=1S/C9H15FO2/c1-5-12-8(11)6-7(10)9(2,3)4/h6H,5H2,1-4H3/b7-6-
InChIKeyOEHDFASHJAFCHA-SREVYHEPSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-Dimethyl-pentenoic acid methyl ester
CID 5367816
Ethyl 4-fluoro-3-methylpent-2-en-1-oate
CID 5702865
ethyl (Z)-2-fluorohex-2-enoate
CID 10920811
Jwcziyixbasbfh-votsokgwsa-
CID 12705931
methyl (E)-4-fluoro-3-methylpent-2-enoate
CID 23234155
methyl (Z)-4-fluoro-3-methylpent-2-enoate
CID 23234156
ethyl (2E)-6-methyl-3-(trifluoromethyl)hepta-2,5-dienoate
CID 135007861
ethyl (2E,5E)-3-(trifluoromethyl)hepta-2,5-dienoate
CID 135056698
(E)-3-(Trifluoromethyl)-2,5-hexadienoic acid ethyl ester
CID 11275789
ethyl (Z)-2-Fluoro-4,4-dimethylpent-2-enoate
CID 86745858
ethyl (E)-3,4,4-trimethylpent-2-enoate
CID 5369087
ethyl (E)-4,4-dimethylpent-2-enoate
CID 13618226

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate?
The IUPAC name of ethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate (CID 138978243) is ethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate.
What is the SMILES notation for ethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate?
The canonical SMILES for ethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate is CCOC(=O)/C=C(\F)C(C)(C)C.
What is the InChIKey of ethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate?
The InChIKey is OEHDFASHJAFCHA-SREVYHEPSA-N. The full InChI is InChI=1S/C9H15FO2/c1-5-12-8(11)6-7(10)9(2,3)4/h6H,5H2,1-4H3/b7-6-.
What are the key properties of ethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate?
ethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate has a molecular weight of 174.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-fluoro-4,4-dimethylpent-2-enoate is sourced from PubChem (CID 138978243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).