1,1,1,3,3-pentafluoro-2,2-diiodopropane

C3HF5I2 — CID 175825482

IUPAC1,1,1,3,3-pentafluoro-2,2-diiodopropane
SMILESFC(F)C(I)(I)C(F)(F)F
InChIInChI=1S/C3HF5I2/c4-1(5)2(9,10)3(6,7)8/h1H
InChIKeyMYVFACYFJVGBGZ-UHFFFAOYSA-N
MW385.84 g/mol
LogP3.38
Rot. Bonds1

About 1,1,1,3,3-pentafluoro-2,2-diiodopropane

1,1,1,3,3-pentafluoro-2,2-diiodopropane (PubChem CID 175825482) has the molecular formula C3HF5I2 and a molecular weight of 385.84 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-2,2-diiodopropane.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-2,2-diiodopropane
PubChem CID175825482
Molecular FormulaC3HF5I2
Molecular Weight385.84 g/mol
Exact Mass385.81
IUPAC Name1,1,1,3,3-pentafluoro-2,2-diiodopropane
SMILESFC(F)C(I)(I)C(F)(F)F
InChIInChI=1S/C3HF5I2/c4-1(5)2(9,10)3(6,7)8/h1H
InChIKeyMYVFACYFJVGBGZ-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 53.38
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'}

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Related Compounds

2,3-dibromo-1,1,2,3,4,4-hexafluorobutane
CID 171780319
1,1,1,2,2,3,3-heptafluoropropane;methane
CID 158693034
1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
CID 175862099
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
CID 158268992
CID 172837284
CID 172837284
1,1,1,2,2-pentafluoroethane iodide
CID 157061199
(1S)-1-chloro-1,2,2,2-tetrafluoro-1-iodoethane
CID 95169758
lithium;hydride;1,1,1,2,2-pentafluoroethane
CID 173225751
trifluoro(iodo)methane;zinc
CID 88708055
1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane
CID 88645116
tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+)
CID 173459707
1,1,3,3-tetrafluoro-1-iodopropane
CID 129244940

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-2,2-diiodopropane?
The IUPAC name of 1,1,1,3,3-pentafluoro-2,2-diiodopropane (CID 175825482) is 1,1,1,3,3-pentafluoro-2,2-diiodopropane.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-2,2-diiodopropane?
The canonical SMILES for 1,1,1,3,3-pentafluoro-2,2-diiodopropane is FC(F)C(I)(I)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-2,2-diiodopropane?
The InChIKey is MYVFACYFJVGBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5I2/c4-1(5)2(9,10)3(6,7)8/h1H.
What are the key properties of 1,1,1,3,3-pentafluoro-2,2-diiodopropane?
1,1,1,3,3-pentafluoro-2,2-diiodopropane has a molecular weight of 385.84 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-2,2-diiodopropane is sourced from PubChem (CID 175825482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).