7,7,7-trifluoro-3-methylhepta-2,4-diene

C8H11F3 — CID 123499921

IUPAC7,7,7-trifluoro-3-methylhepta-2,4-diene
SMILESCC=C(C)C=CCC(F)(F)F
InChIInChI=1S/C8H11F3/c1-3-7(2)5-4-6-8(9,10)11/h3-5H,6H2,1-2H3
InChIKeyMFZRERUIRGTNMU-UHFFFAOYSA-N
MW164.17 g/mol
LogP3.46
Rot. Bonds2

About 7,7,7-trifluoro-3-methylhepta-2,4-diene

7,7,7-trifluoro-3-methylhepta-2,4-diene (PubChem CID 123499921) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is 7,7,7-trifluoro-3-methylhepta-2,4-diene.

Molecular Properties

Compound Name7,7,7-trifluoro-3-methylhepta-2,4-diene
PubChem CID123499921
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name7,7,7-trifluoro-3-methylhepta-2,4-diene
SMILESCC=C(C)C=CCC(F)(F)F
InChIInChI=1S/C8H11F3/c1-3-7(2)5-4-6-8(9,10)11/h3-5H,6H2,1-2H3
InChIKeyMFZRERUIRGTNMU-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z,7Z)-3,7-dimethylnona-2,4,7-triene
CID 143472362
(4Z,6Z)-6-methyl-2-(trifluoromethyl)octa-1,4,6-triene
CID 143956336
ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene
CID 142112959
(E)-5,5,5-trifluoropent-2-enoic acid
CID 55296417
5,5,5-trifluoropent-2-enamide
CID 154272221
(3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene
CID 142246512
ethyl (E)-5,5,5-trifluoropent-2-enoate
CID 15104041
1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene
CID 143119388
4,8,8-trimethylnona-3,5-diene
CID 123895816
(Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one
CID 162510008
(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol
CID 88563032
[(E)-4,4,4-trifluorobut-1-enyl] acetate
CID 87908862

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-3-methylhepta-2,4-diene?
The IUPAC name of 7,7,7-trifluoro-3-methylhepta-2,4-diene (CID 123499921) is 7,7,7-trifluoro-3-methylhepta-2,4-diene.
What is the SMILES notation for 7,7,7-trifluoro-3-methylhepta-2,4-diene?
The canonical SMILES for 7,7,7-trifluoro-3-methylhepta-2,4-diene is CC=C(C)C=CCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-3-methylhepta-2,4-diene?
The InChIKey is MFZRERUIRGTNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3/c1-3-7(2)5-4-6-8(9,10)11/h3-5H,6H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-3-methylhepta-2,4-diene?
7,7,7-trifluoro-3-methylhepta-2,4-diene has a molecular weight of 164.17 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-3-methylhepta-2,4-diene is sourced from PubChem (CID 123499921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).