methyl (E)-7-fluoro-2-propylhept-2-enoate

C11H19FO2 — CID 59946148

IUPACmethyl (E)-7-fluoro-2-propylhept-2-enoate
SMILESCCC/C(=C\CCCCF)C(=O)OC
InChIInChI=1S/C11H19FO2/c1-3-7-10(11(13)14-2)8-5-4-6-9-12/h8H,3-7,9H2,1-2H3/b10-8+
InChIKeyQWDHYMCUTROFDW-CSKARUKUSA-N
MW202.27 g/mol
LogP3.03
Rot. Bonds7

About methyl (E)-7-fluoro-2-propylhept-2-enoate

methyl (E)-7-fluoro-2-propylhept-2-enoate (PubChem CID 59946148) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is methyl (E)-7-fluoro-2-propylhept-2-enoate.

Molecular Properties

Compound Namemethyl (E)-7-fluoro-2-propylhept-2-enoate
PubChem CID59946148
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Namemethyl (E)-7-fluoro-2-propylhept-2-enoate
SMILESCCC/C(=C\CCCCF)C(=O)OC
InChIInChI=1S/C11H19FO2/c1-3-7-10(11(13)14-2)8-5-4-6-9-12/h8H,3-7,9H2,1-2H3/b10-8+
InChIKeyQWDHYMCUTROFDW-CSKARUKUSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.03
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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Related Compounds

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Manshurolide
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Methyl 2-propylpent-2-enoate
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5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
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(5Z,9Z)-5,9-dimethyl-1-oxacycloundeca-5,9-dien-2-one
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Neo-aristolactone
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methyl (2Z,6E,10E)-6,10-dimethyl-12-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoate
CID 11282068
methyl (2E,6E,10E)-6,10-dimethyl-12-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoate
CID 11351129
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Frequently Asked Questions

What is the IUPAC name of methyl (E)-7-fluoro-2-propylhept-2-enoate?
The IUPAC name of methyl (E)-7-fluoro-2-propylhept-2-enoate (CID 59946148) is methyl (E)-7-fluoro-2-propylhept-2-enoate.
What is the SMILES notation for methyl (E)-7-fluoro-2-propylhept-2-enoate?
The canonical SMILES for methyl (E)-7-fluoro-2-propylhept-2-enoate is CCC/C(=C\CCCCF)C(=O)OC.
What is the InChIKey of methyl (E)-7-fluoro-2-propylhept-2-enoate?
The InChIKey is QWDHYMCUTROFDW-CSKARUKUSA-N. The full InChI is InChI=1S/C11H19FO2/c1-3-7-10(11(13)14-2)8-5-4-6-9-12/h8H,3-7,9H2,1-2H3/b10-8+.
What are the key properties of methyl (E)-7-fluoro-2-propylhept-2-enoate?
methyl (E)-7-fluoro-2-propylhept-2-enoate has a molecular weight of 202.27 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-7-fluoro-2-propylhept-2-enoate is sourced from PubChem (CID 59946148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).