(E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene

C5H6F4O — CID 87075366

IUPAC(E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene
SMILESCO/C(F)=C(/C)C(F)(F)F
InChIInChI=1S/C5H6F4O/c1-3(4(6)10-2)5(7,8)9/h1-2H3/b4-3-
InChIKeyOPRDDZSLDCWYGA-ARJAWSKDSA-N
MW158.09 g/mol
LogP2.40
Rot. Bonds1

About (E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene

(E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene (PubChem CID 87075366) has the molecular formula C5H6F4O and a molecular weight of 158.09 g/mol. Its IUPAC name is (E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene.

Molecular Properties

Compound Name(E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene
PubChem CID87075366
Molecular FormulaC5H6F4O
Molecular Weight158.09 g/mol
Exact Mass158.04
IUPAC Name(E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene
SMILESCO/C(F)=C(/C)C(F)(F)F
InChIInChI=1S/C5H6F4O/c1-3(4(6)10-2)5(7,8)9/h1-2H3/b4-3-
InChIKeyOPRDDZSLDCWYGA-ARJAWSKDSA-N
XLogP2.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 52.40
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 (E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene?
The IUPAC name of (E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene (CID 87075366) is (E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene.
What is the SMILES notation for (E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene?
The canonical SMILES for (E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene is CO/C(F)=C(/C)C(F)(F)F.
What is the InChIKey of (E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene?
The InChIKey is OPRDDZSLDCWYGA-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H6F4O/c1-3(4(6)10-2)5(7,8)9/h1-2H3/b4-3-.
What are the key properties of (E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene?
(E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene has a molecular weight of 158.09 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene is sourced from PubChem (CID 87075366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).