(Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene

C6H9F3O — CID 138465315

IUPAC(Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene
SMILESCO/C=C(/C)CC(F)(F)F
InChIInChI=1S/C6H9F3O/c1-5(4-10-2)3-6(7,8)9/h4H,3H2,1-2H3/b5-4-
InChIKeyOUTXETWHBROOKG-PLNGDYQASA-N
MW154.13 g/mol
LogP2.49
Rot. Bonds2

About (Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene

(Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene (PubChem CID 138465315) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene
PubChem CID138465315
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name(Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene
SMILESCO/C=C(/C)CC(F)(F)F
InChIInChI=1S/C6H9F3O/c1-5(4-10-2)3-6(7,8)9/h4H,3H2,1-2H3/b5-4-
InChIKeyOUTXETWHBROOKG-PLNGDYQASA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene?
The IUPAC name of (Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene (CID 138465315) is (Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene.
What is the SMILES notation for (Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene?
The canonical SMILES for (Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene is CO/C=C(/C)CC(F)(F)F.
What is the InChIKey of (Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene?
The InChIKey is OUTXETWHBROOKG-PLNGDYQASA-N. The full InChI is InChI=1S/C6H9F3O/c1-5(4-10-2)3-6(7,8)9/h4H,3H2,1-2H3/b5-4-.
What are the key properties of (Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene?
(Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene has a molecular weight of 154.13 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-1-methoxy-2-methylbut-1-ene is sourced from PubChem (CID 138465315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).