3-fluoro-2-prop-1-enoxydecane

C13H25FO — CID 73473902

IUPAC3-fluoro-2-prop-1-enoxydecane
SMILESCC=COC(C)C(F)CCCCCCC
InChIInChI=1S/C13H25FO/c1-4-6-7-8-9-10-13(14)12(3)15-11-5-2/h5,11-13H,4,6-10H2,1-3H3
InChIKeyFMLFEAJJDLFVBL-UHFFFAOYSA-N
MW216.34 g/mol
LogP4.62
Rot. Bonds9

About 3-fluoro-2-prop-1-enoxydecane

3-fluoro-2-prop-1-enoxydecane (PubChem CID 73473902) has the molecular formula C13H25FO and a molecular weight of 216.34 g/mol. Its IUPAC name is 3-fluoro-2-prop-1-enoxydecane.

Molecular Properties

Compound Name3-fluoro-2-prop-1-enoxydecane
PubChem CID73473902
Molecular FormulaC13H25FO
Molecular Weight216.34 g/mol
Exact Mass216.19
IUPAC Name3-fluoro-2-prop-1-enoxydecane
SMILESCC=COC(C)C(F)CCCCCCC
InChIInChI=1S/C13H25FO/c1-4-6-7-8-9-10-13(14)12(3)15-11-5-2/h5,11-13H,4,6-10H2,1-3H3
InChIKeyFMLFEAJJDLFVBL-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-prop-1-enoxydecane?
The IUPAC name of 3-fluoro-2-prop-1-enoxydecane (CID 73473902) is 3-fluoro-2-prop-1-enoxydecane.
What is the SMILES notation for 3-fluoro-2-prop-1-enoxydecane?
The canonical SMILES for 3-fluoro-2-prop-1-enoxydecane is CC=COC(C)C(F)CCCCCCC.
What is the InChIKey of 3-fluoro-2-prop-1-enoxydecane?
The InChIKey is FMLFEAJJDLFVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FO/c1-4-6-7-8-9-10-13(14)12(3)15-11-5-2/h5,11-13H,4,6-10H2,1-3H3.
What are the key properties of 3-fluoro-2-prop-1-enoxydecane?
3-fluoro-2-prop-1-enoxydecane has a molecular weight of 216.34 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-prop-1-enoxydecane is sourced from PubChem (CID 73473902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).