1-fluoro-8-methylcycloundeca-1,2-diene

C12H19F — CID 129065466

IUPAC1-fluoro-8-methylcycloundeca-1,2-diene
SMILESCC1CCCCC=C=C(F)CCC1
InChIInChI=1S/C12H19F/c1-11-7-4-2-3-5-9-12(13)10-6-8-11/h5,11H,2-4,6-8,10H2,1H3
InChIKeyOSTOROHCCSSUQU-UHFFFAOYSA-N
MW182.28 g/mol
LogP4.38
Rot. Bonds

About 1-fluoro-8-methylcycloundeca-1,2-diene

1-fluoro-8-methylcycloundeca-1,2-diene (PubChem CID 129065466) has the molecular formula C12H19F and a molecular weight of 182.28 g/mol. Its IUPAC name is 1-fluoro-8-methylcycloundeca-1,2-diene.

Molecular Properties

Compound Name1-fluoro-8-methylcycloundeca-1,2-diene
PubChem CID129065466
Molecular FormulaC12H19F
Molecular Weight182.28 g/mol
Exact Mass182.15
IUPAC Name1-fluoro-8-methylcycloundeca-1,2-diene
SMILESCC1CCCCC=C=C(F)CCC1
InChIInChI=1S/C12H19F/c1-11-7-4-2-3-5-9-12(13)10-6-8-11/h5,11H,2-4,6-8,10H2,1H3
InChIKeyOSTOROHCCSSUQU-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.28
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-8-methylcycloundeca-1,2-diene?
The IUPAC name of 1-fluoro-8-methylcycloundeca-1,2-diene (CID 129065466) is 1-fluoro-8-methylcycloundeca-1,2-diene.
What is the SMILES notation for 1-fluoro-8-methylcycloundeca-1,2-diene?
The canonical SMILES for 1-fluoro-8-methylcycloundeca-1,2-diene is CC1CCCCC=C=C(F)CCC1.
What is the InChIKey of 1-fluoro-8-methylcycloundeca-1,2-diene?
The InChIKey is OSTOROHCCSSUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F/c1-11-7-4-2-3-5-9-12(13)10-6-8-11/h5,11H,2-4,6-8,10H2,1H3.
What are the key properties of 1-fluoro-8-methylcycloundeca-1,2-diene?
1-fluoro-8-methylcycloundeca-1,2-diene has a molecular weight of 182.28 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-8-methylcycloundeca-1,2-diene is sourced from PubChem (CID 129065466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).