(3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane

C17H30FNO — CID 143824071

IUPAC(3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane
SMILESC1CCOCC1.C=C/C(F)=C(\C=C)CC(=C)CC.CN
InChIInChI=1S/C11H15F.C5H10O.CH5N/c1-5-9(4)8-10(6-2)11(12)7-3;1-2-4-6-5-3-1;1-2/h6-7H,2-5,8H2,1H3;1-5H2;2H2,1H3/b11-10-;;
InChIKeyPTUHAYUUJNJUSL-PQBRBDCOSA-N
MW283.43 g/mol
LogP4.70
Rot. Bonds5

About (3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane

(3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane (PubChem CID 143824071) has the molecular formula C17H30FNO and a molecular weight of 283.43 g/mol. Its IUPAC name is (3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane.

Molecular Properties

Compound Name(3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane
PubChem CID143824071
Molecular FormulaC17H30FNO
Molecular Weight283.43 g/mol
Exact Mass283.23
IUPAC Name(3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane
SMILESC1CCOCC1.C=C/C(F)=C(\C=C)CC(=C)CC.CN
InChIInChI=1S/C11H15F.C5H10O.CH5N/c1-5-9(4)8-10(6-2)11(12)7-3;1-2-4-6-5-3-1;1-2/h6-7H,2-5,8H2,1H3;1-5H2;2H2,1H3/b11-10-;;
InChIKeyPTUHAYUUJNJUSL-PQBRBDCOSA-N
XLogP4.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane?
The IUPAC name of (3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane (CID 143824071) is (3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane.
What is the SMILES notation for (3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane?
The canonical SMILES for (3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane is C1CCOCC1.C=C/C(F)=C(\C=C)CC(=C)CC.CN.
What is the InChIKey of (3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane?
The InChIKey is PTUHAYUUJNJUSL-PQBRBDCOSA-N. The full InChI is InChI=1S/C11H15F.C5H10O.CH5N/c1-5-9(4)8-10(6-2)11(12)7-3;1-2-4-6-5-3-1;1-2/h6-7H,2-5,8H2,1H3;1-5H2;2H2,1H3/b11-10-;;.
What are the key properties of (3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane?
(3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane has a molecular weight of 283.43 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-ethenyl-3-fluoro-6-methylideneocta-1,3-diene;methanamine;oxane is sourced from PubChem (CID 143824071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).