(5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene

C12H10F12 — CID 5364385

IUPAC(5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene
SMILESC=CC(C)C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F12/c1-3-6(2)4-5-7(13)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)24/h3,5-6H,1,4H2,2H3/b7-5-
InChIKeyGKAKSWZINMYCFS-ALCCZGGFSA-N
MW382.19 g/mol
LogP6.16
Rot. Bonds7

About (5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene

(5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene (PubChem CID 5364385) has the molecular formula C12H10F12 and a molecular weight of 382.19 g/mol. Its IUPAC name is (5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene.

Molecular Properties

Compound Name(5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene
PubChem CID5364385
Molecular FormulaC12H10F12
Molecular Weight382.19 g/mol
Exact Mass382.06
IUPAC Name(5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene
SMILESC=CC(C)C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F12/c1-3-6(2)4-5-7(13)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)24/h3,5-6H,1,4H2,2H3/b7-5-
InChIKeyGKAKSWZINMYCFS-ALCCZGGFSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.19
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene with MolForge

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Related Compounds

(6E)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Heptadecafluoropentadec-6-ene
CID 10864207
(6E)-8,8,9,9,10,10,11,11,12,12,13,13,13-Tridecafluorotridec-6-ene
CID 11761506
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotetradec-7-ene
CID 2776180
7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentadecafluorotridec-5-ene
CID 54254754
5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-2-ene
CID 71331659
1,1,1,2,2,3,3-Heptafluoronon-4-ene
CID 2774929
(5E)-7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Heptadecafluorotetradec-5-ene
CID 13722135
(5E)-1,1,1,2,2,3,3,4,4-Nonafluorododec-5-ene
CID 14043465
(5E)-1,1,1,2,2,3,3,4,4-Nonafluorodec-5-ene
CID 14785119
1,1,1,2,2,3,3,4,4-Nonafluoro-5-methylundec-5-ene
CID 85549144
1,1,1,2,2,3,3,4,4-Nonafluoroundec-5-ene
CID 85799506
(4E)-1,1,1,2,2,3,3-Heptafluorodec-4-ene
CID 98041497

Frequently Asked Questions

What is the IUPAC name of (5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene?
The IUPAC name of (5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene (CID 5364385) is (5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene.
What is the SMILES notation for (5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene?
The canonical SMILES for (5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene is C=CC(C)C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene?
The InChIKey is GKAKSWZINMYCFS-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H10F12/c1-3-6(2)4-5-7(13)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)24/h3,5-6H,1,4H2,2H3/b7-5-.
What are the key properties of (5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene?
(5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene has a molecular weight of 382.19 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methylundeca-1,5-diene is sourced from PubChem (CID 5364385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).