4,4,4-trifluoro-2-(methoxymethyl)but-1-ene

C6H9F3O — CID 89475007

IUPAC4,4,4-trifluoro-2-(methoxymethyl)but-1-ene
SMILESC=C(COC)CC(F)(F)F
InChIInChI=1S/C6H9F3O/c1-5(4-10-2)3-6(7,8)9/h1,3-4H2,2H3
InChIKeyRZYLEWDMVAKFBU-UHFFFAOYSA-N
MW154.13 g/mol
LogP2.14
Rot. Bonds3

About 4,4,4-trifluoro-2-(methoxymethyl)but-1-ene

4,4,4-trifluoro-2-(methoxymethyl)but-1-ene (PubChem CID 89475007) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-(methoxymethyl)but-1-ene.

Molecular Properties

Compound Name4,4,4-trifluoro-2-(methoxymethyl)but-1-ene
PubChem CID89475007
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name4,4,4-trifluoro-2-(methoxymethyl)but-1-ene
SMILESC=C(COC)CC(F)(F)F
InChIInChI=1S/C6H9F3O/c1-5(4-10-2)3-6(7,8)9/h1,3-4H2,2H3
InChIKeyRZYLEWDMVAKFBU-UHFFFAOYSA-N
XLogP2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,4,4-trifluoro-2-(methoxymethyl)but-1-ene?
The IUPAC name of 4,4,4-trifluoro-2-(methoxymethyl)but-1-ene (CID 89475007) is 4,4,4-trifluoro-2-(methoxymethyl)but-1-ene.
What is the SMILES notation for 4,4,4-trifluoro-2-(methoxymethyl)but-1-ene?
The canonical SMILES for 4,4,4-trifluoro-2-(methoxymethyl)but-1-ene is C=C(COC)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-(methoxymethyl)but-1-ene?
The InChIKey is RZYLEWDMVAKFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-5(4-10-2)3-6(7,8)9/h1,3-4H2,2H3.
What are the key properties of 4,4,4-trifluoro-2-(methoxymethyl)but-1-ene?
4,4,4-trifluoro-2-(methoxymethyl)but-1-ene has a molecular weight of 154.13 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-(methoxymethyl)but-1-ene is sourced from PubChem (CID 89475007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).