ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane

C11H21F3O — CID 143337132

IUPACethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane
SMILESC/C=C\C(C)=C/C.CC.COC(F)(F)F
InChIInChI=1S/C7H12.C2H3F3O.C2H6/c1-4-6-7(3)5-2;1-6-2(3,4)5;1-2/h4-6H,1-3H3;1H3;1-2H3/b6-4-,7-5-;;
InChIKeyJPFSYXDAUQQFLT-RVMHNBBFSA-N
MW226.28 g/mol
LogP4.71
Rot. Bonds1

About ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane

ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane (PubChem CID 143337132) has the molecular formula C11H21F3O and a molecular weight of 226.28 g/mol. Its IUPAC name is ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane.

Molecular Properties

Compound Nameethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane
PubChem CID143337132
Molecular FormulaC11H21F3O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Nameethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane
SMILESC/C=C\C(C)=C/C.CC.COC(F)(F)F
InChIInChI=1S/C7H12.C2H3F3O.C2H6/c1-4-6-7(3)5-2;1-6-2(3,4)5;1-2/h4-6H,1-3H3;1H3;1-2H3/b6-4-,7-5-;;
InChIKeyJPFSYXDAUQQFLT-RVMHNBBFSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane?
The IUPAC name of ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane (CID 143337132) is ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane.
What is the SMILES notation for ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane?
The canonical SMILES for ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane is C/C=C\C(C)=C/C.CC.COC(F)(F)F.
What is the InChIKey of ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane?
The InChIKey is JPFSYXDAUQQFLT-RVMHNBBFSA-N. The full InChI is InChI=1S/C7H12.C2H3F3O.C2H6/c1-4-6-7(3)5-2;1-6-2(3,4)5;1-2/h4-6H,1-3H3;1H3;1-2H3/b6-4-,7-5-;;.
What are the key properties of ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane?
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane has a molecular weight of 226.28 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane is sourced from PubChem (CID 143337132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).