3,4,5-trifluoro-2-methylhexa-1,4-diene

C7H9F3 — CID 175386742

IUPAC3,4,5-trifluoro-2-methylhexa-1,4-diene
SMILESC=C(C)C(F)C(F)=C(C)F
InChIInChI=1S/C7H9F3/c1-4(2)6(9)7(10)5(3)8/h6H,1H2,2-3H3
InChIKeyLEPSXJODHYPCCG-UHFFFAOYSA-N
MW150.14 g/mol
LogP3.07
Rot. Bonds2

About 3,4,5-trifluoro-2-methylhexa-1,4-diene

3,4,5-trifluoro-2-methylhexa-1,4-diene (PubChem CID 175386742) has the molecular formula C7H9F3 and a molecular weight of 150.14 g/mol. Its IUPAC name is 3,4,5-trifluoro-2-methylhexa-1,4-diene.

Molecular Properties

Compound Name3,4,5-trifluoro-2-methylhexa-1,4-diene
PubChem CID175386742
Molecular FormulaC7H9F3
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name3,4,5-trifluoro-2-methylhexa-1,4-diene
SMILESC=C(C)C(F)C(F)=C(C)F
InChIInChI=1S/C7H9F3/c1-4(2)6(9)7(10)5(3)8/h6H,1H2,2-3H3
InChIKeyLEPSXJODHYPCCG-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methyl-2-methylidenepent-4-enenitrile
CID 143347837
carbanylium;2-chloro-1,1,1,2-tetrafluoroethane;2-fluoroprop-1-ene;hydrochloride
CID 162149218
(E)-2,3-difluorobut-2-ene
CID 59928419
1,1,2-trifluoro-3-methylbut-2-ene
CID 135261950
2,3-difluoro-5-methyl-4-methylidenehex-2-ene
CID 123737950
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962
1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane
CID 147658691
1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene
CID 91190808
(5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene
CID 174089278
(3R)-2-methylpenta-1,4-dien-3-ol
CID 102163423

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-2-methylhexa-1,4-diene?
The IUPAC name of 3,4,5-trifluoro-2-methylhexa-1,4-diene (CID 175386742) is 3,4,5-trifluoro-2-methylhexa-1,4-diene.
What is the SMILES notation for 3,4,5-trifluoro-2-methylhexa-1,4-diene?
The canonical SMILES for 3,4,5-trifluoro-2-methylhexa-1,4-diene is C=C(C)C(F)C(F)=C(C)F.
What is the InChIKey of 3,4,5-trifluoro-2-methylhexa-1,4-diene?
The InChIKey is LEPSXJODHYPCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3/c1-4(2)6(9)7(10)5(3)8/h6H,1H2,2-3H3.
What are the key properties of 3,4,5-trifluoro-2-methylhexa-1,4-diene?
3,4,5-trifluoro-2-methylhexa-1,4-diene has a molecular weight of 150.14 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-2-methylhexa-1,4-diene is sourced from PubChem (CID 175386742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).