9-fluoro-10-methyldodeca-1,2-diene

C13H23F — CID 123728117

IUPAC9-fluoro-10-methyldodeca-1,2-diene
SMILESC=C=CCCCCCC(F)C(C)CC
InChIInChI=1S/C13H23F/c1-4-6-7-8-9-10-11-13(14)12(3)5-2/h6,12-13H,1,5,7-11H2,2-3H3
InChIKeyBOPLZYZUBVNDCO-UHFFFAOYSA-N
MW198.32 g/mol
LogP4.66
Rot. Bonds8

About 9-fluoro-10-methyldodeca-1,2-diene

9-fluoro-10-methyldodeca-1,2-diene (PubChem CID 123728117) has the molecular formula C13H23F and a molecular weight of 198.32 g/mol. Its IUPAC name is 9-fluoro-10-methyldodeca-1,2-diene.

Molecular Properties

Compound Name9-fluoro-10-methyldodeca-1,2-diene
PubChem CID123728117
Molecular FormulaC13H23F
Molecular Weight198.32 g/mol
Exact Mass198.18
IUPAC Name9-fluoro-10-methyldodeca-1,2-diene
SMILESC=C=CCCCCCC(F)C(C)CC
InChIInChI=1S/C13H23F/c1-4-6-7-8-9-10-11-13(14)12(3)5-2/h6,12-13H,1,5,7-11H2,2-3H3
InChIKeyBOPLZYZUBVNDCO-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-Methyldec-1-ene
CID 521957
4,6,8-Trimethyl-1-nonene
CID 41077
8-Methyl-1-undecene
CID 522552
7-Methyl-1-undecene
CID 522554
4-Methyl-1-decene
CID 518719
5-Methyl-1-undecene
CID 522550
4-Methyl-1-undecene
CID 522551
7-Methyl-1-nonene
CID 527475
5-Methyldec-1-ene
CID 543820
1-Nonene, 4,8-dimethyl
CID 528453
3,7,11-Trimethyl-1-dodecene
CID 528443
(7R)-7-methyltridec-1-ene
CID 163104371

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-10-methyldodeca-1,2-diene?
The IUPAC name of 9-fluoro-10-methyldodeca-1,2-diene (CID 123728117) is 9-fluoro-10-methyldodeca-1,2-diene.
What is the SMILES notation for 9-fluoro-10-methyldodeca-1,2-diene?
The canonical SMILES for 9-fluoro-10-methyldodeca-1,2-diene is C=C=CCCCCCC(F)C(C)CC.
What is the InChIKey of 9-fluoro-10-methyldodeca-1,2-diene?
The InChIKey is BOPLZYZUBVNDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F/c1-4-6-7-8-9-10-11-13(14)12(3)5-2/h6,12-13H,1,5,7-11H2,2-3H3.
What are the key properties of 9-fluoro-10-methyldodeca-1,2-diene?
9-fluoro-10-methyldodeca-1,2-diene has a molecular weight of 198.32 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-10-methyldodeca-1,2-diene is sourced from PubChem (CID 123728117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).