(Z)-1,1,1-trifluoro-5-methylhex-2-ene

C7H11F3 — CID 176664146

IUPAC(Z)-1,1,1-trifluoro-5-methylhex-2-ene
SMILESCC(C)C/C=C\C(F)(F)F
InChIInChI=1S/C7H11F3/c1-6(2)4-3-5-7(8,9)10/h3,5-6H,4H2,1-2H3/b5-3-
InChIKeyFXTHYOCQFILJEY-HYXAFXHYSA-N
MW152.16 g/mol
LogP3.15
Rot. Bonds2

About (Z)-1,1,1-trifluoro-5-methylhex-2-ene

(Z)-1,1,1-trifluoro-5-methylhex-2-ene (PubChem CID 176664146) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-5-methylhex-2-ene.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-5-methylhex-2-ene
PubChem CID176664146
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name(Z)-1,1,1-trifluoro-5-methylhex-2-ene
SMILESCC(C)C/C=C\C(F)(F)F
InChIInChI=1S/C7H11F3/c1-6(2)4-3-5-7(8,9)10/h3,5-6H,4H2,1-2H3/b5-3-
InChIKeyFXTHYOCQFILJEY-HYXAFXHYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 53.15
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 (Z)-1,1,1-trifluoro-5-methylhex-2-ene?
The IUPAC name of (Z)-1,1,1-trifluoro-5-methylhex-2-ene (CID 176664146) is (Z)-1,1,1-trifluoro-5-methylhex-2-ene.
What is the SMILES notation for (Z)-1,1,1-trifluoro-5-methylhex-2-ene?
The canonical SMILES for (Z)-1,1,1-trifluoro-5-methylhex-2-ene is CC(C)C/C=C\C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-5-methylhex-2-ene?
The InChIKey is FXTHYOCQFILJEY-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H11F3/c1-6(2)4-3-5-7(8,9)10/h3,5-6H,4H2,1-2H3/b5-3-.
What are the key properties of (Z)-1,1,1-trifluoro-5-methylhex-2-ene?
(Z)-1,1,1-trifluoro-5-methylhex-2-ene has a molecular weight of 152.16 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-5-methylhex-2-ene is sourced from PubChem (CID 176664146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).