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

C8H13FO2 — CID 86259333

IUPACethyl 2-fluoro-3-methylpent-4-enoate
SMILESC=CC(C)C(F)C(=O)OCC
InChIInChI=1S/C8H13FO2/c1-4-6(3)7(9)8(10)11-5-2/h4,6-7H,1,5H2,2-3H3
InChIKeyBEGUHANRYNAKMX-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.71
Rot. Bonds4

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

ethyl 2-fluoro-3-methylpent-4-enoate (PubChem CID 86259333) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is ethyl 2-fluoro-3-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-methylpent-4-enoate
PubChem CID86259333
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Nameethyl 2-fluoro-3-methylpent-4-enoate
SMILESC=CC(C)C(F)C(=O)OCC
InChIInChI=1S/C8H13FO2/c1-4-6(3)7(9)8(10)11-5-2/h4,6-7H,1,5H2,2-3H3
InChIKeyBEGUHANRYNAKMX-UHFFFAOYSA-N
XLogP1.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.71
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

ethyl 2,3-dimethylpent-4-enoate
CID 13254527
diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate
CID 97048138
ethyl (E)-3-[(3S,4R)-4-methylhexa-1,5-dien-3-yl]oxyprop-2-enoate
CID 102149648
ethyl 2-methylpropanoate;formic acid
CID 175762228
ethyl (2R,3S)-2-fluoro-3-phenylbutanoate
CID 102075314
ethyl (2R,3R)-2-fluoro-3-phenylbutanoate
CID 102075316
ethyl acetate;fluoroform;formic acid;methanol
CID 174054036
ethyl (3R)-3-methylpent-4-enoate
CID 173481995
ethyl 2,3,5-trifluoropentanoate
CID 174529809
ethyl 2-benzoyl-3-methylpent-4-enoate
CID 11447973
ethyl 2-(fluoroamino)propanoate
CID 89108988

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-methylpent-4-enoate?
The IUPAC name of ethyl 2-fluoro-3-methylpent-4-enoate (CID 86259333) is ethyl 2-fluoro-3-methylpent-4-enoate.
What is the SMILES notation for ethyl 2-fluoro-3-methylpent-4-enoate?
The canonical SMILES for ethyl 2-fluoro-3-methylpent-4-enoate is C=CC(C)C(F)C(=O)OCC.
What is the InChIKey of ethyl 2-fluoro-3-methylpent-4-enoate?
The InChIKey is BEGUHANRYNAKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-4-6(3)7(9)8(10)11-5-2/h4,6-7H,1,5H2,2-3H3.
What are the key properties of ethyl 2-fluoro-3-methylpent-4-enoate?
ethyl 2-fluoro-3-methylpent-4-enoate has a molecular weight of 160.19 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-methylpent-4-enoate is sourced from PubChem (CID 86259333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).