1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methylhexane

C7H8F7I — CID 134988789

IUPAC1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methylhexane
SMILESCC(C)(I)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7I/c1-4(2,15)3-5(8,9)6(10,11)7(12,13)14/h3H2,1-2H3
InChIKeyZXRLROMTDBEHRN-UHFFFAOYSA-N
MW352.03 g/mol
LogP4.42
Rot. Bonds3

About 1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methylhexane

1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methylhexane (PubChem CID 134988789) has the molecular formula C7H8F7I and a molecular weight of 352.03 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methylhexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methylhexane
PubChem CID134988789
Molecular FormulaC7H8F7I
Molecular Weight352.03 g/mol
Exact Mass351.96
IUPAC Name1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methylhexane
SMILESCC(C)(I)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7I/c1-4(2,15)3-5(8,9)6(10,11)7(12,13)14/h3H2,1-2H3
InChIKeyZXRLROMTDBEHRN-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.03
LogP ≤ 54.42
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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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methylhexane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methylhexane (CID 134988789) is 1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methylhexane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methylhexane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methylhexane is CC(C)(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-iodo-5-methylhexane?
The InChIKey is ZXRLROMTDBEHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7I/c1-4(2,15)3-5(8,9)6(10,11)7(12,13)14/h3H2,1-2H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methylhexane?
1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methylhexane has a molecular weight of 352.03 g/mol, XLogP of 4.42, 3 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-iodo-5-methylhexane is sourced from PubChem (CID 134988789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).