1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane

C6H3F10I — CID 87613315

IUPAC1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane
SMILESFC(F)C(F)C(F)C(F)(I)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F10I/c7-1(3(9)10)2(8)4(11,17)5(12,13)6(14,15)16/h1-3H
InChIKeyRBNSCCBADPJJHY-UHFFFAOYSA-N
MW391.97 g/mol
LogP4.23
Rot. Bonds4

About 1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane

1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane (PubChem CID 87613315) has the molecular formula C6H3F10I and a molecular weight of 391.97 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane.

Molecular Properties

Compound Name1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane
PubChem CID87613315
Molecular FormulaC6H3F10I
Molecular Weight391.97 g/mol
Exact Mass391.91
IUPAC Name1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane
SMILESFC(F)C(F)C(F)C(F)(I)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F10I/c7-1(3(9)10)2(8)4(11,17)5(12,13)6(14,15)16/h1-3H
InChIKeyRBNSCCBADPJJHY-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 54.23
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

1,1,2,2,3,3,4,4,5,6,7,7-dodecafluoroheptane-1-thiol
CID 175037264
3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane
CID 18916016
1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane
CID 88645116
1,1,2,2,3,4,4-heptafluoro-1-iodobutane
CID 19937939
1,1,2,3,3,4,5,6,6-nonafluorohex-1-ene
CID 21182215
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane
CID 173221103
2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane
CID 139983372
1,1,1,3,3-pentafluoro-2,2-diiodopropane
CID 175825482
lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate
CID 134207102
1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol
CID 18676336
1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane
CID 96560026

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane?
The IUPAC name of 1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane (CID 87613315) is 1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane.
What is the SMILES notation for 1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane?
The canonical SMILES for 1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane is FC(F)C(F)C(F)C(F)(I)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane?
The InChIKey is RBNSCCBADPJJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F10I/c7-1(3(9)10)2(8)4(11,17)5(12,13)6(14,15)16/h1-3H.
What are the key properties of 1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane?
1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane has a molecular weight of 391.97 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane is sourced from PubChem (CID 87613315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).