(3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene

C11H12F6 — CID 87152760

IUPAC(3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C(/C=C(\C=C(/C)C(F)(F)F)CC)C(F)(F)F
InChIInChI=1S/C11H12F6/c1-4-9(5-7(2)10(12,13)14)6-8(3)11(15,16)17/h5-6H,2,4H2,1,3H3/b8-6+,9-5-
InChIKeyBCRPPFDQRQUNMP-JXCGNHFNSA-N
MW258.21 g/mol
LogP4.95
Rot. Bonds3

About (3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene

(3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene (PubChem CID 87152760) has the molecular formula C11H12F6 and a molecular weight of 258.21 g/mol. Its IUPAC name is (3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene
PubChem CID87152760
Molecular FormulaC11H12F6
Molecular Weight258.21 g/mol
Exact Mass258.08
IUPAC Name(3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C(/C=C(\C=C(/C)C(F)(F)F)CC)C(F)(F)F
InChIInChI=1S/C11H12F6/c1-4-9(5-7(2)10(12,13)14)6-8(3)11(15,16)17/h5-6H,2,4H2,1,3H3/b8-6+,9-5-
InChIKeyBCRPPFDQRQUNMP-JXCGNHFNSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene (CID 87152760) is (3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene is C=C(/C=C(\C=C(/C)C(F)(F)F)CC)C(F)(F)F.
What is the InChIKey of (3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene?
The InChIKey is BCRPPFDQRQUNMP-JXCGNHFNSA-N. The full InChI is InChI=1S/C11H12F6/c1-4-9(5-7(2)10(12,13)14)6-8(3)11(15,16)17/h5-6H,2,4H2,1,3H3/b8-6+,9-5-.
What are the key properties of (3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene?
(3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene has a molecular weight of 258.21 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-4-ethyl-7,7,7-trifluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 87152760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).