5-but-3-enoxy-5-fluoronona-1,8-diene

C13H21FO — CID 122631410

IUPAC5-but-3-enoxy-5-fluoronona-1,8-diene
SMILESC=CCCOC(F)(CCC=C)CCC=C
InChIInChI=1S/C13H21FO/c1-4-7-10-13(14,11-8-5-2)15-12-9-6-3/h4-6H,1-3,7-12H2
InChIKeyORKLWQQNXRVTHU-UHFFFAOYSA-N
MW212.31 g/mol
LogP4.18
Rot. Bonds10

About 5-but-3-enoxy-5-fluoronona-1,8-diene

5-but-3-enoxy-5-fluoronona-1,8-diene (PubChem CID 122631410) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is 5-but-3-enoxy-5-fluoronona-1,8-diene.

Molecular Properties

Compound Name5-but-3-enoxy-5-fluoronona-1,8-diene
PubChem CID122631410
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Name5-but-3-enoxy-5-fluoronona-1,8-diene
SMILESC=CCCOC(F)(CCC=C)CCC=C
InChIInChI=1S/C13H21FO/c1-4-7-10-13(14,11-8-5-2)15-12-9-6-3/h4-6H,1-3,7-12H2
InChIKeyORKLWQQNXRVTHU-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 54.18
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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Related Compounds

4-(1,1-difluoropropoxy)but-1-ene
CID 88900247
6-bromo-5,5-difluorohex-1-ene
CID 10512188
2,2-difluorohex-5-en-1-ol
CID 150546008
4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol
CID 161288540
3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene
CID 122631413
3-but-3-enoxy-3-methyldodec-1-ene
CID 25185090
2-but-3-enoxy-2-methylpentanoic acid
CID 114988966
5,5-bis(ethenyl)nona-1,8-diene
CID 100960520
8,8,8-trifluorooct-1-ene
CID 11008282
5-methoxy-5,6-dimethylhept-1-ene
CID 23385174
6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene
CID 58219567
but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid
CID 175706388

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enoxy-5-fluoronona-1,8-diene?
The IUPAC name of 5-but-3-enoxy-5-fluoronona-1,8-diene (CID 122631410) is 5-but-3-enoxy-5-fluoronona-1,8-diene.
What is the SMILES notation for 5-but-3-enoxy-5-fluoronona-1,8-diene?
The canonical SMILES for 5-but-3-enoxy-5-fluoronona-1,8-diene is C=CCCOC(F)(CCC=C)CCC=C.
What is the InChIKey of 5-but-3-enoxy-5-fluoronona-1,8-diene?
The InChIKey is ORKLWQQNXRVTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO/c1-4-7-10-13(14,11-8-5-2)15-12-9-6-3/h4-6H,1-3,7-12H2.
What are the key properties of 5-but-3-enoxy-5-fluoronona-1,8-diene?
5-but-3-enoxy-5-fluoronona-1,8-diene has a molecular weight of 212.31 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enoxy-5-fluoronona-1,8-diene is sourced from PubChem (CID 122631410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).