1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide

C12H5F11N2O — CID 3240680

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1cccnc1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H5F11N2O/c13-7(6(26)25-5-2-1-3-24-4-5)8(14,15)10(18,19)12(22,23)11(20,21)9(7,16)17/h1-4H,(H,25,26)
InChIKeyBGCCANRTBPOCNA-UHFFFAOYSA-N
MW402.16 g/mol
LogP3.92
Rot. Bonds2

About 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide (PubChem CID 3240680) has the molecular formula C12H5F11N2O and a molecular weight of 402.16 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide
PubChem CID3240680
Molecular FormulaC12H5F11N2O
Molecular Weight402.16 g/mol
Exact Mass402.02
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1cccnc1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H5F11N2O/c13-7(6(26)25-5-2-1-3-24-4-5)8(14,15)10(18,19)12(22,23)11(20,21)9(7,16)17/h1-4H,(H,25,26)
InChIKeyBGCCANRTBPOCNA-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.16
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide (CID 3240680) is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide is O=C(Nc1cccnc1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide?
The InChIKey is BGCCANRTBPOCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F11N2O/c13-7(6(26)25-5-2-1-3-24-4-5)8(14,15)10(18,19)12(22,23)11(20,21)9(7,16)17/h1-4H,(H,25,26).
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide?
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide has a molecular weight of 402.16 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-pyridin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 3240680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).