methyl (E)-4-fluoro-3-methylpent-2-enoate

C7H11FO2 — CID 23234155

IUPACmethyl (E)-4-fluoro-3-methylpent-2-enoate
SMILESCOC(=O)/C=C(\C)C(C)F
InChIInChI=1S/C7H11FO2/c1-5(6(2)8)4-7(9)10-3/h4,6H,1-3H3/b5-4+
InChIKeyGJHRYGUUNLRPOM-SNAWJCMRSA-N
MW146.16 g/mol
LogP1.46
Rot. Bonds2

About methyl (E)-4-fluoro-3-methylpent-2-enoate

methyl (E)-4-fluoro-3-methylpent-2-enoate (PubChem CID 23234155) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is methyl (E)-4-fluoro-3-methylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-fluoro-3-methylpent-2-enoate
PubChem CID23234155
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Namemethyl (E)-4-fluoro-3-methylpent-2-enoate
SMILESCOC(=O)/C=C(\C)C(C)F
InChIInChI=1S/C7H11FO2/c1-5(6(2)8)4-7(9)10-3/h4,6H,1-3H3/b5-4+
InChIKeyGJHRYGUUNLRPOM-SNAWJCMRSA-N
XLogP1.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.46
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

Methyl geranate
CID 5365910
Methyl 3-methyl-2-butenoate
CID 13546
Methyl nerate
CID 5365912
2-Hexenoic acid, 2-methyl-, methyl ester, (2E)-
CID 5364816
Methyl 3,7-dimethylocta-2,6-dienoate
CID 70917
Methyl 4-methyl-2-pentenoate
CID 5362843
Methyl 2-pentenoate
CID 5364718
Methyl 3-methyl-2-hexenoate
CID 574152
Methyl trans-2-methyl-2-pentenoate
CID 5323653
Methyl 3-methyl-4-oxopent-2-enoate
CID 10419281
Ethyl cyclopropylideneacetate
CID 11040705
4-Ethyl-2(5H)-furanone
CID 12224251

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-fluoro-3-methylpent-2-enoate?
The IUPAC name of methyl (E)-4-fluoro-3-methylpent-2-enoate (CID 23234155) is methyl (E)-4-fluoro-3-methylpent-2-enoate.
What is the SMILES notation for methyl (E)-4-fluoro-3-methylpent-2-enoate?
The canonical SMILES for methyl (E)-4-fluoro-3-methylpent-2-enoate is COC(=O)/C=C(\C)C(C)F.
What is the InChIKey of methyl (E)-4-fluoro-3-methylpent-2-enoate?
The InChIKey is GJHRYGUUNLRPOM-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H11FO2/c1-5(6(2)8)4-7(9)10-3/h4,6H,1-3H3/b5-4+.
What are the key properties of methyl (E)-4-fluoro-3-methylpent-2-enoate?
methyl (E)-4-fluoro-3-methylpent-2-enoate has a molecular weight of 146.16 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-fluoro-3-methylpent-2-enoate is sourced from PubChem (CID 23234155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).