1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene

C5H6F5I — CID 123277192

IUPAC1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene
SMILESC=CC.FC(F)(F)C(F)(F)I
InChIInChI=1S/C3H6.C2F5I/c1-3-2;3-1(4,5)2(6,7)8/h3H,1H2,2H3;
InChIKeyQPWSEGPXGAYVAB-UHFFFAOYSA-N
MW288.00 g/mol
LogP3.77
Rot. Bonds

About 1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene

1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene (PubChem CID 123277192) has the molecular formula C5H6F5I and a molecular weight of 288.00 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene
PubChem CID123277192
Molecular FormulaC5H6F5I
Molecular Weight288.00 g/mol
Exact Mass287.94
IUPAC Name1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene
SMILESC=CC.FC(F)(F)C(F)(F)I
InChIInChI=1S/C3H6.C2F5I/c1-3-2;3-1(4,5)2(6,7)8/h3H,1H2,2H3;
InChIKeyQPWSEGPXGAYVAB-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.00
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

molecular fluorine;prop-1-ene
CID 173099849
prop-1-ene
CID 162178440
ethane;tetrakis(prop-1-ene)
CID 90918926
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
ethane;bis(prop-1-ene)
CID 91426438
azane;tris(prop-1-ene)
CID 162019717
azane;tris(prop-1-ene)
CID 173323353
bis(prop-1-ene);hydrate
CID 21257591
prop-1-ene;hydrochloride
CID 19097823
3-bromo-3,4,4-trifluoro-4-iodobut-1-ene
CID 22613645
diiodozinc;prop-1-ene
CID 174311147

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene (CID 123277192) is 1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene is C=CC.FC(F)(F)C(F)(F)I.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene?
The InChIKey is QPWSEGPXGAYVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.C2F5I/c1-3-2;3-1(4,5)2(6,7)8/h3H,1H2,2H3;.
What are the key properties of 1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene?
1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene has a molecular weight of 288.00 g/mol, XLogP of 3.77, 0 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-pentafluoro-2-iodoethane;prop-1-ene is sourced from PubChem (CID 123277192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).