1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene

C15H22F7I — CID 153324074

IUPAC1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene
SMILESCCCCCCCCCCC(I)=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H22F7I/c1-2-3-4-5-6-7-8-9-10-12(23)11-13(16,17)14(18,19)15(20,21)22/h11H,2-10H2,1H3
InChIKeyWJKYSVFZLLAQDQ-UHFFFAOYSA-N
MW462.23 g/mol
LogP7.67
Rot. Bonds11

About 1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene

1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene (PubChem CID 153324074) has the molecular formula C15H22F7I and a molecular weight of 462.23 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene
PubChem CID153324074
Molecular FormulaC15H22F7I
Molecular Weight462.23 g/mol
Exact Mass462.07
IUPAC Name1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene
SMILESCCCCCCCCCCC(I)=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H22F7I/c1-2-3-4-5-6-7-8-9-10-12(23)11-13(16,17)14(18,19)15(20,21)22/h11H,2-10H2,1H3
InChIKeyWJKYSVFZLLAQDQ-UHFFFAOYSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.23
LogP ≤ 57.67
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodohexadec-7-ene
CID 11093095
1,1,1-trifluoro-3-iodooct-2-ene
CID 72824718
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol
CID 153324272
(4E)-1,1,2,3,3-pentafluoro-5-iododeca-1,4-diene
CID 11245158
6,6,7,7,7-pentafluoro-4-iodohept-4-en-1-ol
CID 86666682
(E)-1,2-diiododec-1-ene
CID 11361339
(E)-1,2-diiodohept-1-ene
CID 15312157
2-iodooct-1-enyl(trimethyl)silane
CID 71353850
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;octanoic acid
CID 87266081
2,2,3,3,4,4,4-heptafluorobutanoyl hexadecanoate
CID 175106578
1,1,1,2,2-pentafluoro-3,3-dimethyldodecane
CID 151241914
1,1,2,2,3,3,3-heptafluoropropyl octacosanoate
CID 54123311

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene (CID 153324074) is 1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene is CCCCCCCCCCC(I)=CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene?
The InChIKey is WJKYSVFZLLAQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F7I/c1-2-3-4-5-6-7-8-9-10-12(23)11-13(16,17)14(18,19)15(20,21)22/h11H,2-10H2,1H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene?
1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene has a molecular weight of 462.23 g/mol, XLogP of 7.67, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene is sourced from PubChem (CID 153324074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).