6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane

C6H3ClF9I — CID 71337308

IUPAC6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(I)CCl
InChIInChI=1S/C6H3ClF9I/c7-1-2(17)3(8,9)4(10,11)5(12,13)6(14,15)16/h2H,1H2
InChIKeyBDWUFWLLBYZWAP-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.50
Rot. Bonds4

About 6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane

6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane (PubChem CID 71337308) has the molecular formula C6H3ClF9I and a molecular weight of 408.43 g/mol. Its IUPAC name is 6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane.

Molecular Properties

Compound Name6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane
PubChem CID71337308
Molecular FormulaC6H3ClF9I
Molecular Weight408.43 g/mol
Exact Mass407.88
IUPAC Name6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(I)CCl
InChIInChI=1S/C6H3ClF9I/c7-1-2(17)3(8,9)4(10,11)5(12,13)6(14,15)16/h2H,1H2
InChIKeyBDWUFWLLBYZWAP-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.50
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

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CID 138396298
bis(3,3,4,4,5,5,6,6,6-nonafluoro-2-iodohexyl) sulfate
CID 54102070
1,1,1,2,2,3,3-heptafluoro-4-iodoheptane
CID 151585042
(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iodooctyl)benzene
CID 132820969
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodo-9-methyldodecane
CID 153324145
ethyl 2,5,5,6,6,7,7,8,8,8-decafluoro-4-iodo-2-(trifluoromethyl)octanoate
CID 19082566
1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane
CID 87315468
1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecan-1-ol
CID 175326600
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane?
The IUPAC name of 6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane (CID 71337308) is 6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane.
What is the SMILES notation for 6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane?
The canonical SMILES for 6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(I)CCl.
What is the InChIKey of 6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane?
The InChIKey is BDWUFWLLBYZWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF9I/c7-1-2(17)3(8,9)4(10,11)5(12,13)6(14,15)16/h2H,1H2.
What are the key properties of 6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane?
6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane has a molecular weight of 408.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane is sourced from PubChem (CID 71337308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).