(5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene

C12H18F2 — CID 162623291

IUPAC(5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene
SMILESCC(C)=CCC[C@@H](C)CC=C=C(F)F
InChIInChI=1S/C12H18F2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14/h5-6,11H,4,7-8H2,1-3H3/t11-/m1/s1
InChIKeyHKIXHYXOEPLMRE-LLVKDONJSA-N
MW200.27 g/mol
LogP4.69
Rot. Bonds5

About (5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene

(5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene (PubChem CID 162623291) has the molecular formula C12H18F2 and a molecular weight of 200.27 g/mol. Its IUPAC name is (5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene.

Molecular Properties

Compound Name(5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene
PubChem CID162623291
Molecular FormulaC12H18F2
Molecular Weight200.27 g/mol
Exact Mass200.14
IUPAC Name(5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene
SMILESCC(C)=CCC[C@@H](C)CC=C=C(F)F
InChIInChI=1S/C12H18F2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14/h5-6,11H,4,7-8H2,1-3H3/t11-/m1/s1
InChIKeyHKIXHYXOEPLMRE-LLVKDONJSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 54.69
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 (5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene?
The IUPAC name of (5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene (CID 162623291) is (5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene.
What is the SMILES notation for (5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene?
The canonical SMILES for (5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene is CC(C)=CCC[C@@H](C)CC=C=C(F)F.
What is the InChIKey of (5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene?
The InChIKey is HKIXHYXOEPLMRE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18F2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14/h5-6,11H,4,7-8H2,1-3H3/t11-/m1/s1.
What are the key properties of (5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene?
(5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene has a molecular weight of 200.27 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene is sourced from PubChem (CID 162623291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).