methyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate

C10H17FO2 — CID 88573882

IUPACmethyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate
SMILESCOC(=O)C(F)(C=C(C)C)C(C)C
InChIInChI=1S/C10H17FO2/c1-7(2)6-10(11,8(3)4)9(12)13-5/h6,8H,1-5H3
InChIKeyPAYIXHKFUCXWHU-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.49
Rot. Bonds3

About methyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate

methyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate (PubChem CID 88573882) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is methyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate
PubChem CID88573882
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Namemethyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate
SMILESCOC(=O)C(F)(C=C(C)C)C(C)C
InChIInChI=1S/C10H17FO2/c1-7(2)6-10(11,8(3)4)9(12)13-5/h6,8H,1-5H3
InChIKeyPAYIXHKFUCXWHU-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate?
The IUPAC name of methyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate (CID 88573882) is methyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate.
What is the SMILES notation for methyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate?
The canonical SMILES for methyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate is COC(=O)C(F)(C=C(C)C)C(C)C.
What is the InChIKey of methyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate?
The InChIKey is PAYIXHKFUCXWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-7(2)6-10(11,8(3)4)9(12)13-5/h6,8H,1-5H3.
What are the key properties of methyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate?
methyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate has a molecular weight of 188.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-methyl-2-propan-2-ylpent-3-enoate is sourced from PubChem (CID 88573882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).