2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide

C6H2F10INO — CID 54013019

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide
SMILESNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C6H2F10INO/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H2,18,19)
InChIKeyKTRXTYMUJCKTLJ-UHFFFAOYSA-N
MW420.97 g/mol
LogP3.04
Rot. Bonds5

About 2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide

2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide (PubChem CID 54013019) has the molecular formula C6H2F10INO and a molecular weight of 420.97 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide
PubChem CID54013019
Molecular FormulaC6H2F10INO
Molecular Weight420.97 g/mol
Exact Mass420.90
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide
SMILESNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C6H2F10INO/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H2,18,19)
InChIKeyKTRXTYMUJCKTLJ-UHFFFAOYSA-N
XLogP3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.97
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide (CID 54013019) is 2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide is NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide?
The InChIKey is KTRXTYMUJCKTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F10INO/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H2,18,19).
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide?
2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide has a molecular weight of 420.97 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-6-iodohexanamide is sourced from PubChem (CID 54013019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).