fluoro 2-propyldec-2-enoate

C13H23FO2 — CID 174488691

IUPACfluoro 2-propyldec-2-enoate
SMILESCCCCCCCC=C(CCC)C(=O)OF
InChIInChI=1S/C13H23FO2/c1-3-5-6-7-8-9-11-12(10-4-2)13(15)16-14/h11H,3-10H2,1-2H3
InChIKeyYBYSRFCRQMEKIB-UHFFFAOYSA-N
MW230.32 g/mol
LogP4.50
Rot. Bonds9

About fluoro 2-propyldec-2-enoate

fluoro 2-propyldec-2-enoate (PubChem CID 174488691) has the molecular formula C13H23FO2 and a molecular weight of 230.32 g/mol. Its IUPAC name is fluoro 2-propyldec-2-enoate.

Molecular Properties

Compound Namefluoro 2-propyldec-2-enoate
PubChem CID174488691
Molecular FormulaC13H23FO2
Molecular Weight230.32 g/mol
Exact Mass230.17
IUPAC Namefluoro 2-propyldec-2-enoate
SMILESCCCCCCCC=C(CCC)C(=O)OF
InChIInChI=1S/C13H23FO2/c1-3-5-6-7-8-9-11-12(10-4-2)13(15)16-14/h11H,3-10H2,1-2H3
InChIKeyYBYSRFCRQMEKIB-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 54.50
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-propyldec-2-enoate?
The IUPAC name of fluoro 2-propyldec-2-enoate (CID 174488691) is fluoro 2-propyldec-2-enoate.
What is the SMILES notation for fluoro 2-propyldec-2-enoate?
The canonical SMILES for fluoro 2-propyldec-2-enoate is CCCCCCCC=C(CCC)C(=O)OF.
What is the InChIKey of fluoro 2-propyldec-2-enoate?
The InChIKey is YBYSRFCRQMEKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO2/c1-3-5-6-7-8-9-11-12(10-4-2)13(15)16-14/h11H,3-10H2,1-2H3.
What are the key properties of fluoro 2-propyldec-2-enoate?
fluoro 2-propyldec-2-enoate has a molecular weight of 230.32 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-propyldec-2-enoate is sourced from PubChem (CID 174488691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).