[(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane

C14H21F — CID 118946109

IUPAC[(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane
SMILESCC/C(C)=C(F)/C=C\C=C(/C)C1CCC1
InChIInChI=1S/C14H21F/c1-4-11(2)14(15)10-5-7-12(3)13-8-6-9-13/h5,7,10,13H,4,6,8-9H2,1-3H3/b10-5-,12-7+,14-11-
InChIKeyHXNXTQAVJLVZMQ-JSCACNEQSA-N
MW208.32 g/mol
LogP4.94
Rot. Bonds4

About [(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane

[(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane (PubChem CID 118946109) has the molecular formula C14H21F and a molecular weight of 208.32 g/mol. Its IUPAC name is [(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane.

Molecular Properties

Compound Name[(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane
PubChem CID118946109
Molecular FormulaC14H21F
Molecular Weight208.32 g/mol
Exact Mass208.16
IUPAC Name[(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane
SMILESCC/C(C)=C(F)/C=C\C=C(/C)C1CCC1
InChIInChI=1S/C14H21F/c1-4-11(2)14(15)10-5-7-12(3)13-8-6-9-13/h5,7,10,13H,4,6,8-9H2,1-3H3/b10-5-,12-7+,14-11-
InChIKeyHXNXTQAVJLVZMQ-JSCACNEQSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane?
The IUPAC name of [(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane (CID 118946109) is [(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane.
What is the SMILES notation for [(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane?
The canonical SMILES for [(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane is CC/C(C)=C(F)/C=C\C=C(/C)C1CCC1.
What is the InChIKey of [(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane?
The InChIKey is HXNXTQAVJLVZMQ-JSCACNEQSA-N. The full InChI is InChI=1S/C14H21F/c1-4-11(2)14(15)10-5-7-12(3)13-8-6-9-13/h5,7,10,13H,4,6,8-9H2,1-3H3/b10-5-,12-7+,14-11-.
What are the key properties of [(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane?
[(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane has a molecular weight of 208.32 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane is sourced from PubChem (CID 118946109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).