(4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene

C10H12F5I — CID 11245158

IUPAC(4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene
SMILESCCCCC/C(I)=C\C(F)(F)C(F)=C(F)F
InChIInChI=1S/C10H12F5I/c1-2-3-4-5-7(16)6-10(14,15)8(11)9(12)13/h6H,2-5H2,1H3/b7-6+
InChIKeyXEKHZHFHERHCGN-VOTSOKGWSA-N
MW354.10 g/mol
LogP5.60
Rot. Bonds6

About (4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene

(4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene (PubChem CID 11245158) has the molecular formula C10H12F5I and a molecular weight of 354.10 g/mol. Its IUPAC name is (4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene.

Molecular Properties

Compound Name(4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene
PubChem CID11245158
Molecular FormulaC10H12F5I
Molecular Weight354.10 g/mol
Exact Mass353.99
IUPAC Name(4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene
SMILESCCCCC/C(I)=C\C(F)(F)C(F)=C(F)F
InChIInChI=1S/C10H12F5I/c1-2-3-4-5-7(16)6-10(14,15)8(11)9(12)13/h6H,2-5H2,1H3/b7-6+
InChIKeyXEKHZHFHERHCGN-VOTSOKGWSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.10
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-3-iodooct-2-ene
CID 72824718
1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene
CID 153324074
(E)-1,2-diiodohept-1-ene
CID 15312157
(E)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodohexadec-7-ene
CID 11093095
(E)-1,2-diiododec-1-ene
CID 11361339
(E)-1,2-dibromohept-1-ene
CID 134985754
2-iodooct-1-enyl(trimethyl)silane
CID 71353850
(E)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene
CID 11090556
(Z)-3-bromooct-2-ene
CID 13181431
1,1,2,3,3,4,4-heptafluorododec-1-ene
CID 154155860
heptadecane;hypofluorous acid
CID 158426244
(E)-3-iodo-1-methoxynon-2-ene
CID 10493117

Frequently Asked Questions

What is the IUPAC name of (4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene?
The IUPAC name of (4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene (CID 11245158) is (4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene.
What is the SMILES notation for (4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene?
The canonical SMILES for (4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene is CCCCC/C(I)=C\C(F)(F)C(F)=C(F)F.
What is the InChIKey of (4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene?
The InChIKey is XEKHZHFHERHCGN-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H12F5I/c1-2-3-4-5-7(16)6-10(14,15)8(11)9(12)13/h6H,2-5H2,1H3/b7-6+.
What are the key properties of (4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene?
(4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene has a molecular weight of 354.10 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene is sourced from PubChem (CID 11245158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).