2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene

C15H25F — CID 175620074

IUPAC2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene
SMILESC=C(C)CC(C(=C)C(C)C)C(C)CC(=C)F
InChIInChI=1S/C15H25F/c1-10(2)8-15(14(7)11(3)4)12(5)9-13(6)16/h11-12,15H,1,6-9H2,2-5H3
InChIKeyMEGHOLVPKWWKHM-UHFFFAOYSA-N
MW224.36 g/mol
LogP5.29
Rot. Bonds7

About 2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene

2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene (PubChem CID 175620074) has the molecular formula C15H25F and a molecular weight of 224.36 g/mol. Its IUPAC name is 2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene.

Molecular Properties

Compound Name2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene
PubChem CID175620074
Molecular FormulaC15H25F
Molecular Weight224.36 g/mol
Exact Mass224.19
IUPAC Name2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene
SMILESC=C(C)CC(C(=C)C(C)C)C(C)CC(=C)F
InChIInChI=1S/C15H25F/c1-10(2)8-15(14(7)11(3)4)12(5)9-13(6)16/h11-12,15H,1,6-9H2,2-5H3
InChIKeyMEGHOLVPKWWKHM-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.36
LogP ≤ 55.29
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 2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene?
The IUPAC name of 2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene (CID 175620074) is 2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene.
What is the SMILES notation for 2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene?
The canonical SMILES for 2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene is C=C(C)CC(C(=C)C(C)C)C(C)CC(=C)F.
What is the InChIKey of 2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene?
The InChIKey is MEGHOLVPKWWKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F/c1-10(2)8-15(14(7)11(3)4)12(5)9-13(6)16/h11-12,15H,1,6-9H2,2-5H3.
What are the key properties of 2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene?
2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene has a molecular weight of 224.36 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene is sourced from PubChem (CID 175620074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).