6,6-difluoro-1,4,5-trimethylcyclohexene

C9H14F2 — CID 58151926

IUPAC6,6-difluoro-1,4,5-trimethylcyclohexene
SMILESCC1=CCC(C)C(C)C1(F)F
InChIInChI=1S/C9H14F2/c1-6-4-5-7(2)9(10,11)8(6)3/h5-6,8H,4H2,1-3H3
InChIKeyDTLNIQXLNOTQDP-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.24
Rot. Bonds

About 6,6-difluoro-1,4,5-trimethylcyclohexene

6,6-difluoro-1,4,5-trimethylcyclohexene (PubChem CID 58151926) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 6,6-difluoro-1,4,5-trimethylcyclohexene.

Molecular Properties

Compound Name6,6-difluoro-1,4,5-trimethylcyclohexene
PubChem CID58151926
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name6,6-difluoro-1,4,5-trimethylcyclohexene
SMILESCC1=CCC(C)C(C)C1(F)F
InChIInChI=1S/C9H14F2/c1-6-4-5-7(2)9(10,11)8(6)3/h5-6,8H,4H2,1-3H3
InChIKeyDTLNIQXLNOTQDP-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.24
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 6,6-difluoro-1,4,5-trimethylcyclohexene?
The IUPAC name of 6,6-difluoro-1,4,5-trimethylcyclohexene (CID 58151926) is 6,6-difluoro-1,4,5-trimethylcyclohexene.
What is the SMILES notation for 6,6-difluoro-1,4,5-trimethylcyclohexene?
The canonical SMILES for 6,6-difluoro-1,4,5-trimethylcyclohexene is CC1=CCC(C)C(C)C1(F)F.
What is the InChIKey of 6,6-difluoro-1,4,5-trimethylcyclohexene?
The InChIKey is DTLNIQXLNOTQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-6-4-5-7(2)9(10,11)8(6)3/h5-6,8H,4H2,1-3H3.
What are the key properties of 6,6-difluoro-1,4,5-trimethylcyclohexene?
6,6-difluoro-1,4,5-trimethylcyclohexene has a molecular weight of 160.21 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1,4,5-trimethylcyclohexene is sourced from PubChem (CID 58151926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).