2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide

C6H2F11NO — CID 14569599

IUPAC2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide
SMILESNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F11NO/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H2,18,19)
InChIKeyATJMLNAMXAIUCX-UHFFFAOYSA-N
MW313.07 g/mol
LogP2.58
Rot. Bonds4

About 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide

2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide (PubChem CID 14569599) has the molecular formula C6H2F11NO and a molecular weight of 313.07 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide
PubChem CID14569599
Molecular FormulaC6H2F11NO
Molecular Weight313.07 g/mol
Exact Mass313.00
IUPAC Name2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide
SMILESNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F11NO/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H2,18,19)
InChIKeyATJMLNAMXAIUCX-UHFFFAOYSA-N
XLogP2.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide (CID 14569599) is 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide is NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide?
The InChIKey is ATJMLNAMXAIUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F11NO/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 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide?
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide has a molecular weight of 313.07 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide is sourced from PubChem (CID 14569599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).