1-(2-fluorobut-3-enoxy)dodecane

C16H31FO — CID 102200837

IUPAC1-(2-fluorobut-3-enoxy)dodecane
SMILESC=CC(F)COCCCCCCCCCCCC
InChIInChI=1S/C16H31FO/c1-3-5-6-7-8-9-10-11-12-13-14-18-15-16(17)4-2/h4,16H,2-3,5-15H2,1H3
InChIKeyVOVQEMYWDPVNAB-UHFFFAOYSA-N
MW258.42 g/mol
LogP5.45
Rot. Bonds14

About 1-(2-fluorobut-3-enoxy)dodecane

1-(2-fluorobut-3-enoxy)dodecane (PubChem CID 102200837) has the molecular formula C16H31FO and a molecular weight of 258.42 g/mol. Its IUPAC name is 1-(2-fluorobut-3-enoxy)dodecane.

Molecular Properties

Compound Name1-(2-fluorobut-3-enoxy)dodecane
PubChem CID102200837
Molecular FormulaC16H31FO
Molecular Weight258.42 g/mol
Exact Mass258.24
IUPAC Name1-(2-fluorobut-3-enoxy)dodecane
SMILESC=CC(F)COCCCCCCCCCCCC
InChIInChI=1S/C16H31FO/c1-3-5-6-7-8-9-10-11-12-13-14-18-15-16(17)4-2/h4,16H,2-3,5-15H2,1H3
InChIKeyVOVQEMYWDPVNAB-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobut-3-enoxy)dodecane?
The IUPAC name of 1-(2-fluorobut-3-enoxy)dodecane (CID 102200837) is 1-(2-fluorobut-3-enoxy)dodecane.
What is the SMILES notation for 1-(2-fluorobut-3-enoxy)dodecane?
The canonical SMILES for 1-(2-fluorobut-3-enoxy)dodecane is C=CC(F)COCCCCCCCCCCCC.
What is the InChIKey of 1-(2-fluorobut-3-enoxy)dodecane?
The InChIKey is VOVQEMYWDPVNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FO/c1-3-5-6-7-8-9-10-11-12-13-14-18-15-16(17)4-2/h4,16H,2-3,5-15H2,1H3.
What are the key properties of 1-(2-fluorobut-3-enoxy)dodecane?
1-(2-fluorobut-3-enoxy)dodecane has a molecular weight of 258.42 g/mol, XLogP of 5.45, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobut-3-enoxy)dodecane is sourced from PubChem (CID 102200837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).