5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene

C17H22F6 — CID 59720881

IUPAC5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene
SMILESCC1=CCCC(C(C2CCC=C(C)C2)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C17H22F6/c1-11-5-3-7-13(9-11)15(16(18,19)20,17(21,22)23)14-8-4-6-12(2)10-14/h5-6,13-14H,3-4,7-10H2,1-2H3
InChIKeySEBMZEQELKMOSN-UHFFFAOYSA-N
MW340.35 g/mol
LogP6.59
Rot. Bonds2

About 5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene

5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene (PubChem CID 59720881) has the molecular formula C17H22F6 and a molecular weight of 340.35 g/mol. Its IUPAC name is 5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene.

Molecular Properties

Compound Name5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene
PubChem CID59720881
Molecular FormulaC17H22F6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC Name5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene
SMILESCC1=CCCC(C(C2CCC=C(C)C2)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C17H22F6/c1-11-5-3-7-13(9-11)15(16(18,19)20,17(21,22)23)14-8-4-6-12(2)10-14/h5-6,13-14H,3-4,7-10H2,1-2H3
InChIKeySEBMZEQELKMOSN-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.35
LogP ≤ 56.59
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 5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene?
The IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene (CID 59720881) is 5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene.
What is the SMILES notation for 5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene?
The canonical SMILES for 5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene is CC1=CCCC(C(C2CCC=C(C)C2)(C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of 5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene?
The InChIKey is SEBMZEQELKMOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F6/c1-11-5-3-7-13(9-11)15(16(18,19)20,17(21,22)23)14-8-4-6-12(2)10-14/h5-6,13-14H,3-4,7-10H2,1-2H3.
What are the key properties of 5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene?
5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene has a molecular weight of 340.35 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1,1,3,3,3-hexafluoro-2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]-1-methylcyclohexene is sourced from PubChem (CID 59720881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).