2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene

C5HClF7I — CID 173142416

IUPAC2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(Cl)=CI
InChIInChI=1S/C5HClF7I/c6-2(1-14)3(7,8)4(9,10)5(11,12)13/h1H
InChIKeyMCYPMJXIWUFQJI-UHFFFAOYSA-N
MW356.41 g/mol
LogP4.33
Rot. Bonds2

About 2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene

2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene (PubChem CID 173142416) has the molecular formula C5HClF7I and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene.

Molecular Properties

Compound Name2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene
PubChem CID173142416
Molecular FormulaC5HClF7I
Molecular Weight356.41 g/mol
Exact Mass355.87
IUPAC Name2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(Cl)=CI
InChIInChI=1S/C5HClF7I/c6-2(1-14)3(7,8)4(9,10)5(11,12)13/h1H
InChIKeyMCYPMJXIWUFQJI-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene
CID 151086807
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl chloride
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2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecanoyl chloride
CID 155662844
1,1,1,2,2,3,3,7,7,8,8,9,9,9-tetradecafluorononane-4,6-dione
CID 617328
2-(2-chloro-2,2-difluoroacetyl)oxyethyl 2,2,3,3,4,4,4-heptafluorobutanoate
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5-bromo-1,1,1,2,2,3,3,7,7,8,8,9,9,9-tetradecafluoro-5-(2,2,3,3,4,4,4-heptafluorobutanoyl)nonane-4,6-dione
CID 13311144
(Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one
CID 12951193
ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 520749
(E)-1-chloro-1,2-diiodoethene
CID 87733481
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91737730

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene?
The IUPAC name of 2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene (CID 173142416) is 2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene.
What is the SMILES notation for 2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene?
The canonical SMILES for 2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene is FC(F)(F)C(F)(F)C(F)(F)C(Cl)=CI.
What is the InChIKey of 2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene?
The InChIKey is MCYPMJXIWUFQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClF7I/c6-2(1-14)3(7,8)4(9,10)5(11,12)13/h1H.
What are the key properties of 2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene?
2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene has a molecular weight of 356.41 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene is sourced from PubChem (CID 173142416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).