2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide

C14H12F14N2O2 — CID 3089857

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide
SMILESO=C(NC1CCC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12F14N2O2/c15-9(16,11(19,20)13(23,24)25)7(31)29-5-1-2-6(4-3-5)30-8(32)10(17,18)12(21,22)14(26,27)28/h5-6H,1-4H2,(H,29,31)(H,30,32)
InChIKeyFICTXIHOXODJKA-UHFFFAOYSA-N
MW506.23 g/mol
LogP4.20
Rot. Bonds6

About 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide (PubChem CID 3089857) has the molecular formula C14H12F14N2O2 and a molecular weight of 506.23 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide
PubChem CID3089857
Molecular FormulaC14H12F14N2O2
Molecular Weight506.23 g/mol
Exact Mass506.07
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide
SMILESO=C(NC1CCC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12F14N2O2/c15-9(16,11(19,20)13(23,24)25)7(31)29-5-1-2-6(4-3-5)30-8(32)10(17,18)12(21,22)14(26,27)28/h5-6H,1-4H2,(H,29,31)(H,30,32)
InChIKeyFICTXIHOXODJKA-UHFFFAOYSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.23
LogP ≤ 54.20
H-Bond Donors ≤ 52
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 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide (CID 3089857) is 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide is O=C(NC1CCC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide?
The InChIKey is FICTXIHOXODJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F14N2O2/c15-9(16,11(19,20)13(23,24)25)7(31)29-5-1-2-6(4-3-5)30-8(32)10(17,18)12(21,22)14(26,27)28/h5-6H,1-4H2,(H,29,31)(H,30,32).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide has a molecular weight of 506.23 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide is sourced from PubChem (CID 3089857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).