(2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene

C9H12F4O — CID 143144599

IUPAC(2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene
SMILESCC/C(C)=C\C(F)=C(/C)OC(F)(F)F
InChIInChI=1S/C9H12F4O/c1-4-6(2)5-8(10)7(3)14-9(11,12)13/h5H,4H2,1-3H3/b6-5-,8-7-
InChIKeyKVDVASGYECPBHY-ISTTXYCBSA-N
MW212.19 g/mol
LogP4.08
Rot. Bonds3

About (2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene

(2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene (PubChem CID 143144599) has the molecular formula C9H12F4O and a molecular weight of 212.19 g/mol. Its IUPAC name is (2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene
PubChem CID143144599
Molecular FormulaC9H12F4O
Molecular Weight212.19 g/mol
Exact Mass212.08
IUPAC Name(2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene
SMILESCC/C(C)=C\C(F)=C(/C)OC(F)(F)F
InChIInChI=1S/C9H12F4O/c1-4-6(2)5-8(10)7(3)14-9(11,12)13/h5H,4H2,1-3H3/b6-5-,8-7-
InChIKeyKVDVASGYECPBHY-ISTTXYCBSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene?
The IUPAC name of (2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene (CID 143144599) is (2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene.
What is the SMILES notation for (2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene?
The canonical SMILES for (2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene is CC/C(C)=C\C(F)=C(/C)OC(F)(F)F.
What is the InChIKey of (2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene?
The InChIKey is KVDVASGYECPBHY-ISTTXYCBSA-N. The full InChI is InChI=1S/C9H12F4O/c1-4-6(2)5-8(10)7(3)14-9(11,12)13/h5H,4H2,1-3H3/b6-5-,8-7-.
What are the key properties of (2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene?
(2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene has a molecular weight of 212.19 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-fluoro-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene is sourced from PubChem (CID 143144599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).