fluoro 2-methylpentadec-2-enoate

C16H29FO2 — CID 174861894

IUPACfluoro 2-methylpentadec-2-enoate
SMILESCCCCCCCCCCCCC=C(C)C(=O)OF
InChIInChI=1S/C16H29FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(18)19-17/h14H,3-13H2,1-2H3
InChIKeyKREUXPDEQZGCSY-UHFFFAOYSA-N
MW272.40 g/mol
LogP5.67
Rot. Bonds12

About fluoro 2-methylpentadec-2-enoate

fluoro 2-methylpentadec-2-enoate (PubChem CID 174861894) has the molecular formula C16H29FO2 and a molecular weight of 272.40 g/mol. Its IUPAC name is fluoro 2-methylpentadec-2-enoate.

Molecular Properties

Compound Namefluoro 2-methylpentadec-2-enoate
PubChem CID174861894
Molecular FormulaC16H29FO2
Molecular Weight272.40 g/mol
Exact Mass272.22
IUPAC Namefluoro 2-methylpentadec-2-enoate
SMILESCCCCCCCCCCCCC=C(C)C(=O)OF
InChIInChI=1S/C16H29FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(18)19-17/h14H,3-13H2,1-2H3
InChIKeyKREUXPDEQZGCSY-UHFFFAOYSA-N
XLogP5.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.40
LogP ≤ 55.67
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-methylpentadec-2-enoate?
The IUPAC name of fluoro 2-methylpentadec-2-enoate (CID 174861894) is fluoro 2-methylpentadec-2-enoate.
What is the SMILES notation for fluoro 2-methylpentadec-2-enoate?
The canonical SMILES for fluoro 2-methylpentadec-2-enoate is CCCCCCCCCCCCC=C(C)C(=O)OF.
What is the InChIKey of fluoro 2-methylpentadec-2-enoate?
The InChIKey is KREUXPDEQZGCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(18)19-17/h14H,3-13H2,1-2H3.
What are the key properties of fluoro 2-methylpentadec-2-enoate?
fluoro 2-methylpentadec-2-enoate has a molecular weight of 272.40 g/mol, XLogP of 5.67, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methylpentadec-2-enoate is sourced from PubChem (CID 174861894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).