(Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene

C6H9F3O — CID 118145002

IUPAC(Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene
SMILESCOC(F)(F)/C(C)=C(/C)F
InChIInChI=1S/C6H9F3O/c1-4(5(2)7)6(8,9)10-3/h1-3H3/b5-4-
InChIKeyGIZQIRMUHDFAEL-PLNGDYQASA-N
MW154.13 g/mol
LogP2.49
Rot. Bonds2

About (Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene

(Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene (PubChem CID 118145002) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is (Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene.

Molecular Properties

Compound Name(Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene
PubChem CID118145002
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name(Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene
SMILESCOC(F)(F)/C(C)=C(/C)F
InChIInChI=1S/C6H9F3O/c1-4(5(2)7)6(8,9)10-3/h1-3H3/b5-4-
InChIKeyGIZQIRMUHDFAEL-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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene?
The IUPAC name of (Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene (CID 118145002) is (Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene.
What is the SMILES notation for (Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene?
The canonical SMILES for (Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene is COC(F)(F)/C(C)=C(/C)F.
What is the InChIKey of (Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene?
The InChIKey is GIZQIRMUHDFAEL-PLNGDYQASA-N. The full InChI is InChI=1S/C6H9F3O/c1-4(5(2)7)6(8,9)10-3/h1-3H3/b5-4-.
What are the key properties of (Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene?
(Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-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)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene is sourced from PubChem (CID 118145002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).