ethyl 2-fluoro-4-methylpent-3-enoate

C8H13FO2 — CID 101176666

IUPACethyl 2-fluoro-4-methylpent-3-enoate
SMILESCCOC(=O)C(F)C=C(C)C
InChIInChI=1S/C8H13FO2/c1-4-11-8(10)7(9)5-6(2)3/h5,7H,4H2,1-3H3
InChIKeyHDZVDXFMDRGCKE-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.85
Rot. Bonds3

About ethyl 2-fluoro-4-methylpent-3-enoate

ethyl 2-fluoro-4-methylpent-3-enoate (PubChem CID 101176666) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is ethyl 2-fluoro-4-methylpent-3-enoate.

Molecular Properties

Compound Nameethyl 2-fluoro-4-methylpent-3-enoate
PubChem CID101176666
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Nameethyl 2-fluoro-4-methylpent-3-enoate
SMILESCCOC(=O)C(F)C=C(C)C
InChIInChI=1S/C8H13FO2/c1-4-11-8(10)7(9)5-6(2)3/h5,7H,4H2,1-3H3
InChIKeyHDZVDXFMDRGCKE-UHFFFAOYSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate
CID 58725319
ethyl (2S)-2,3-difluoropropanoate
CID 129363096
ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
CID 91928398
ethyl acetate;fluoroform;formic acid;methanol
CID 174054036
ethyl (2R)-2-fluoroheptanoate
CID 102068873
ethyl acetate;(hexane)
CID 173056685
ethyl acetate;pentadecakis(hexane)
CID 173347874
ethyl acetate;decakis(hexane)
CID 173035239
ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate
CID 97048138
ethyl 2,4,4-trifluorobutanoate
CID 142778166
ethyl 2-fluoro-2-pentylsulfanylacetate
CID 107746160

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-4-methylpent-3-enoate?
The IUPAC name of ethyl 2-fluoro-4-methylpent-3-enoate (CID 101176666) is ethyl 2-fluoro-4-methylpent-3-enoate.
What is the SMILES notation for ethyl 2-fluoro-4-methylpent-3-enoate?
The canonical SMILES for ethyl 2-fluoro-4-methylpent-3-enoate is CCOC(=O)C(F)C=C(C)C.
What is the InChIKey of ethyl 2-fluoro-4-methylpent-3-enoate?
The InChIKey is HDZVDXFMDRGCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-4-11-8(10)7(9)5-6(2)3/h5,7H,4H2,1-3H3.
What are the key properties of ethyl 2-fluoro-4-methylpent-3-enoate?
ethyl 2-fluoro-4-methylpent-3-enoate has a molecular weight of 160.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-4-methylpent-3-enoate is sourced from PubChem (CID 101176666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).