methyl 6-fluoro-2-methylidenehexanoate

C8H13FO2 — CID 88627320

IUPACmethyl 6-fluoro-2-methylidenehexanoate
SMILESC=C(CCCCF)C(=O)OC
InChIInChI=1S/C8H13FO2/c1-7(8(10)11-2)5-3-4-6-9/h1,3-6H2,2H3
InChIKeyDAFDZGVXJVRLDP-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.86
Rot. Bonds5

About methyl 6-fluoro-2-methylidenehexanoate

methyl 6-fluoro-2-methylidenehexanoate (PubChem CID 88627320) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is methyl 6-fluoro-2-methylidenehexanoate.

Molecular Properties

Compound Namemethyl 6-fluoro-2-methylidenehexanoate
PubChem CID88627320
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Namemethyl 6-fluoro-2-methylidenehexanoate
SMILESC=C(CCCCF)C(=O)OC
InChIInChI=1S/C8H13FO2/c1-7(8(10)11-2)5-3-4-6-9/h1,3-6H2,2H3
InChIKeyDAFDZGVXJVRLDP-UHFFFAOYSA-N
XLogP1.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-2-methylidenehexanoate?
The IUPAC name of methyl 6-fluoro-2-methylidenehexanoate (CID 88627320) is methyl 6-fluoro-2-methylidenehexanoate.
What is the SMILES notation for methyl 6-fluoro-2-methylidenehexanoate?
The canonical SMILES for methyl 6-fluoro-2-methylidenehexanoate is C=C(CCCCF)C(=O)OC.
What is the InChIKey of methyl 6-fluoro-2-methylidenehexanoate?
The InChIKey is DAFDZGVXJVRLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-7(8(10)11-2)5-3-4-6-9/h1,3-6H2,2H3.
What are the key properties of methyl 6-fluoro-2-methylidenehexanoate?
methyl 6-fluoro-2-methylidenehexanoate has a molecular weight of 160.19 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-2-methylidenehexanoate is sourced from PubChem (CID 88627320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).