(1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene

C9H5F6I — CID 163925016

IUPAC(1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene
SMILESFC(F)(I)C(F)(F)C(F)(F)c1ccccc1
InChIInChI=1S/C9H5F6I/c10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)16/h1-5H
InChIKeyRDRLJPQFNRVHIR-UHFFFAOYSA-N
MW354.03 g/mol
LogP4.44
Rot. Bonds3

About (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene

(1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene (PubChem CID 163925016) has the molecular formula C9H5F6I and a molecular weight of 354.03 g/mol. Its IUPAC name is (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene.

Molecular Properties

Compound Name(1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene
PubChem CID163925016
Molecular FormulaC9H5F6I
Molecular Weight354.03 g/mol
Exact Mass353.93
IUPAC Name(1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene
SMILESFC(F)(I)C(F)(F)C(F)(F)c1ccccc1
InChIInChI=1S/C9H5F6I/c10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)16/h1-5H
InChIKeyRDRLJPQFNRVHIR-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.03
LogP ≤ 54.44
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

[bromo(diiodo)methyl]benzene
CID 152582923
(1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene
CID 167184164
1,1,2-trifluoro-1-phenylbutan-2-amine
CID 71076868
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid
CID 87221955
(1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene
CID 139761767
(1,2-dichloro-1,2-difluoro-2-phenylethyl)benzene
CID 15026496
1,1-difluoroethylbenzene
CID 10942535
ethane;bis(trifluoromethylbenzene)
CID 142912000
[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]-phenyldiazene
CID 175052241

Frequently Asked Questions

What is the IUPAC name of (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene?
The IUPAC name of (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene (CID 163925016) is (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene.
What is the SMILES notation for (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene?
The canonical SMILES for (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene is FC(F)(I)C(F)(F)C(F)(F)c1ccccc1.
What is the InChIKey of (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene?
The InChIKey is RDRLJPQFNRVHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6I/c10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)16/h1-5H.
What are the key properties of (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene?
(1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene has a molecular weight of 354.03 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene is sourced from PubChem (CID 163925016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).