(6R)-8,8-difluoro-2,6-dimethyloct-2-ene

C10H18F2 — CID 101488936

IUPAC(6R)-8,8-difluoro-2,6-dimethyloct-2-ene
SMILESCC(C)=CCC[C@@H](C)CC(F)F
InChIInChI=1S/C10H18F2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9-10H,4,6-7H2,1-3H3/t9-/m1/s1
InChIKeyMQFOBAYUNLIPIH-SECBINFHSA-N
MW176.25 g/mol
LogP4.02
Rot. Bonds5

About (6R)-8,8-difluoro-2,6-dimethyloct-2-ene

(6R)-8,8-difluoro-2,6-dimethyloct-2-ene (PubChem CID 101488936) has the molecular formula C10H18F2 and a molecular weight of 176.25 g/mol. Its IUPAC name is (6R)-8,8-difluoro-2,6-dimethyloct-2-ene.

Molecular Properties

Compound Name(6R)-8,8-difluoro-2,6-dimethyloct-2-ene
PubChem CID101488936
Molecular FormulaC10H18F2
Molecular Weight176.25 g/mol
Exact Mass176.14
IUPAC Name(6R)-8,8-difluoro-2,6-dimethyloct-2-ene
SMILESCC(C)=CCC[C@@H](C)CC(F)F
InChIInChI=1S/C10H18F2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9-10H,4,6-7H2,1-3H3/t9-/m1/s1
InChIKeyMQFOBAYUNLIPIH-SECBINFHSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.25
LogP ≤ 54.02
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 (6R)-8,8-difluoro-2,6-dimethyloct-2-ene?
The IUPAC name of (6R)-8,8-difluoro-2,6-dimethyloct-2-ene (CID 101488936) is (6R)-8,8-difluoro-2,6-dimethyloct-2-ene.
What is the SMILES notation for (6R)-8,8-difluoro-2,6-dimethyloct-2-ene?
The canonical SMILES for (6R)-8,8-difluoro-2,6-dimethyloct-2-ene is CC(C)=CCC[C@@H](C)CC(F)F.
What is the InChIKey of (6R)-8,8-difluoro-2,6-dimethyloct-2-ene?
The InChIKey is MQFOBAYUNLIPIH-SECBINFHSA-N. The full InChI is InChI=1S/C10H18F2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9-10H,4,6-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (6R)-8,8-difluoro-2,6-dimethyloct-2-ene?
(6R)-8,8-difluoro-2,6-dimethyloct-2-ene has a molecular weight of 176.25 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8,8-difluoro-2,6-dimethyloct-2-ene is sourced from PubChem (CID 101488936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).