fluoro 2-methyltridec-2-enoate

C14H25FO2 — CID 174462094

IUPACfluoro 2-methyltridec-2-enoate
SMILESCCCCCCCCCCC=C(C)C(=O)OF
InChIInChI=1S/C14H25FO2/c1-3-4-5-6-7-8-9-10-11-12-13(2)14(16)17-15/h12H,3-11H2,1-2H3
InChIKeyPOGZXCFVCMSQDD-UHFFFAOYSA-N
MW244.35 g/mol
LogP4.89
Rot. Bonds10

About fluoro 2-methyltridec-2-enoate

fluoro 2-methyltridec-2-enoate (PubChem CID 174462094) has the molecular formula C14H25FO2 and a molecular weight of 244.35 g/mol. Its IUPAC name is fluoro 2-methyltridec-2-enoate.

Molecular Properties

Compound Namefluoro 2-methyltridec-2-enoate
PubChem CID174462094
Molecular FormulaC14H25FO2
Molecular Weight244.35 g/mol
Exact Mass244.18
IUPAC Namefluoro 2-methyltridec-2-enoate
SMILESCCCCCCCCCCC=C(C)C(=O)OF
InChIInChI=1S/C14H25FO2/c1-3-4-5-6-7-8-9-10-11-12-13(2)14(16)17-15/h12H,3-11H2,1-2H3
InChIKeyPOGZXCFVCMSQDD-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 54.89
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 fluoro 2-methyltridec-2-enoate?
The IUPAC name of fluoro 2-methyltridec-2-enoate (CID 174462094) is fluoro 2-methyltridec-2-enoate.
What is the SMILES notation for fluoro 2-methyltridec-2-enoate?
The canonical SMILES for fluoro 2-methyltridec-2-enoate is CCCCCCCCCCC=C(C)C(=O)OF.
What is the InChIKey of fluoro 2-methyltridec-2-enoate?
The InChIKey is POGZXCFVCMSQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO2/c1-3-4-5-6-7-8-9-10-11-12-13(2)14(16)17-15/h12H,3-11H2,1-2H3.
What are the key properties of fluoro 2-methyltridec-2-enoate?
fluoro 2-methyltridec-2-enoate has a molecular weight of 244.35 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methyltridec-2-enoate is sourced from PubChem (CID 174462094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).