(4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene

C9H14F2 — CID 143497549

IUPAC(4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene
SMILESCC[C@@H](F)/C=C\C(F)=C(C)C
InChIInChI=1S/C9H14F2/c1-4-8(10)5-6-9(11)7(2)3/h5-6,8H,4H2,1-3H3/b6-5-/t8-/m1/s1
InChIKeyVFRJZCZTGUINEK-RPSMYOMKSA-N
MW160.21 g/mol
LogP3.55
Rot. Bonds3

About (4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene

(4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene (PubChem CID 143497549) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is (4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene.

Molecular Properties

Compound Name(4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene
PubChem CID143497549
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene
SMILESCC[C@@H](F)/C=C\C(F)=C(C)C
InChIInChI=1S/C9H14F2/c1-4-8(10)5-6-9(11)7(2)3/h5-6,8H,4H2,1-3H3/b6-5-/t8-/m1/s1
InChIKeyVFRJZCZTGUINEK-RPSMYOMKSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene?
The IUPAC name of (4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene (CID 143497549) is (4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene.
What is the SMILES notation for (4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene?
The canonical SMILES for (4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene is CC[C@@H](F)/C=C\C(F)=C(C)C.
What is the InChIKey of (4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene?
The InChIKey is VFRJZCZTGUINEK-RPSMYOMKSA-N. The full InChI is InChI=1S/C9H14F2/c1-4-8(10)5-6-9(11)7(2)3/h5-6,8H,4H2,1-3H3/b6-5-/t8-/m1/s1.
What are the key properties of (4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene?
(4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene has a molecular weight of 160.21 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6R)-3,6-difluoro-2-methylocta-2,4-diene is sourced from PubChem (CID 143497549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).