(E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene

C12H21F — CID 139479459

IUPAC(E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene
SMILESC=CC(C/C=C(\C)F)C(C)C(C)C
InChIInChI=1S/C12H21F/c1-6-12(8-7-10(4)13)11(5)9(2)3/h6-7,9,11-12H,1,8H2,2-5H3/b10-7+
InChIKeyKHDGJUPARVJCJM-JXMROGBWSA-N
MW184.30 g/mol
LogP4.34
Rot. Bonds5

About (E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene

(E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene (PubChem CID 139479459) has the molecular formula C12H21F and a molecular weight of 184.30 g/mol. Its IUPAC name is (E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene.

Molecular Properties

Compound Name(E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene
PubChem CID139479459
Molecular FormulaC12H21F
Molecular Weight184.30 g/mol
Exact Mass184.16
IUPAC Name(E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene
SMILESC=CC(C/C=C(\C)F)C(C)C(C)C
InChIInChI=1S/C12H21F/c1-6-12(8-7-10(4)13)11(5)9(2)3/h6-7,9,11-12H,1,8H2,2-5H3/b10-7+
InChIKeyKHDGJUPARVJCJM-JXMROGBWSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene?
The IUPAC name of (E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene (CID 139479459) is (E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene.
What is the SMILES notation for (E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene?
The canonical SMILES for (E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene is C=CC(C/C=C(\C)F)C(C)C(C)C.
What is the InChIKey of (E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene?
The InChIKey is KHDGJUPARVJCJM-JXMROGBWSA-N. The full InChI is InChI=1S/C12H21F/c1-6-12(8-7-10(4)13)11(5)9(2)3/h6-7,9,11-12H,1,8H2,2-5H3/b10-7+.
What are the key properties of (E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene?
(E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene has a molecular weight of 184.30 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene is sourced from PubChem (CID 139479459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).