buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene

C15H14F6 — CID 175218097

IUPACbuta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene
SMILESC=CC=C.FC(C(F)(F)F)C(F)(F)C=Cc1ccccc1
InChIInChI=1S/C11H8F6.C4H6/c12-9(11(15,16)17)10(13,14)7-6-8-4-2-1-3-5-8;1-3-4-2/h1-7,9H;3-4H,1-2H2
InChIKeyPEKWUQHTVAZKRN-UHFFFAOYSA-N
MW308.27 g/mol
LogP5.59
Rot. Bonds4

About buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene

buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene (PubChem CID 175218097) has the molecular formula C15H14F6 and a molecular weight of 308.27 g/mol. Its IUPAC name is buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene.

Molecular Properties

Compound Namebuta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene
PubChem CID175218097
Molecular FormulaC15H14F6
Molecular Weight308.27 g/mol
Exact Mass308.10
IUPAC Namebuta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene
SMILESC=CC=C.FC(C(F)(F)F)C(F)(F)C=Cc1ccccc1
InChIInChI=1S/C11H8F6.C4H6/c12-9(11(15,16)17)10(13,14)7-6-8-4-2-1-3-5-8;1-3-4-2/h1-7,9H;3-4H,1-2H2
InChIKeyPEKWUQHTVAZKRN-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.27
LogP ≤ 55.59
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

benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129
buta-1,3-diene;bis(prop-1-enylbenzene)
CID 172716960
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene
CID 22506486
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CID 10980030
1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol
CID 173322831
2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
CID 71360876
buta-1,3-diene;fluoromethane;styrene
CID 174915183
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enylbenzene
CID 85201521
[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
3,3-dimethylbut-1-enylbenzene;1,2-xylene
CID 173385889

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene?
The IUPAC name of buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene (CID 175218097) is buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene.
What is the SMILES notation for buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene?
The canonical SMILES for buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene is C=CC=C.FC(C(F)(F)F)C(F)(F)C=Cc1ccccc1.
What is the InChIKey of buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene?
The InChIKey is PEKWUQHTVAZKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6.C4H6/c12-9(11(15,16)17)10(13,14)7-6-8-4-2-1-3-5-8;1-3-4-2/h1-7,9H;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene?
buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene has a molecular weight of 308.27 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene is sourced from PubChem (CID 175218097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).