3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene

C17H24F6 — CID 154548918

IUPAC3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene
SMILESCC1C=CC(C(C2CCC(C)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C17H24F6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h3,7,11-14H,4-6,8-10H2,1-2H3
InChIKeyDQPXYTJEOGWBOH-UHFFFAOYSA-N
MW342.37 g/mol
LogP6.53
Rot. Bonds2

About 3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene

3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene (PubChem CID 154548918) has the molecular formula C17H24F6 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene.

Molecular Properties

Compound Name3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene
PubChem CID154548918
Molecular FormulaC17H24F6
Molecular Weight342.37 g/mol
Exact Mass342.18
IUPAC Name3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene
SMILESCC1C=CC(C(C2CCC(C)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C17H24F6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h3,7,11-14H,4-6,8-10H2,1-2H3
InChIKeyDQPXYTJEOGWBOH-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.37
LogP ≤ 56.53
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 3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene?
The IUPAC name of 3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene (CID 154548918) is 3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene.
What is the SMILES notation for 3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene?
The canonical SMILES for 3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene is CC1C=CC(C(C2CCC(C)CC2)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene?
The InChIKey is DQPXYTJEOGWBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h3,7,11-14H,4-6,8-10H2,1-2H3.
What are the key properties of 3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene?
3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene has a molecular weight of 342.37 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene is sourced from PubChem (CID 154548918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).