N'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide

C20H23F14N3 — CID 132563573

IUPACN'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide
SMILESFC(F)(F)C(F)(F)C(F)(F)/C(=N/C1CCCCC1)N/C(=N/C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H23F14N3/c21-15(22,17(25,26)19(29,30)31)13(35-11-7-3-1-4-8-11)37-14(36-12-9-5-2-6-10-12)16(23,24)18(27,28)20(32,33)34/h11-12H,1-10H2,(H,35,36,37)
InChIKeyIDSGXYMTWGJAMF-UHFFFAOYSA-N
MW571.40 g/mol
LogP7.70
Rot. Bonds6

About N'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide

N'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide (PubChem CID 132563573) has the molecular formula C20H23F14N3 and a molecular weight of 571.40 g/mol. Its IUPAC name is N'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide
PubChem CID132563573
Molecular FormulaC20H23F14N3
Molecular Weight571.40 g/mol
Exact Mass571.17
IUPAC NameN'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide
SMILESFC(F)(F)C(F)(F)C(F)(F)/C(=N/C1CCCCC1)N/C(=N/C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H23F14N3/c21-15(22,17(25,26)19(29,30)31)13(35-11-7-3-1-4-8-11)37-14(36-12-9-5-2-6-10-12)16(23,24)18(27,28)20(32,33)34/h11-12H,1-10H2,(H,35,36,37)
InChIKeyIDSGXYMTWGJAMF-UHFFFAOYSA-N
XLogP7.70
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.40
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide?
The IUPAC name of N'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide (CID 132563573) is N'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide.
What is the SMILES notation for N'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide?
The canonical SMILES for N'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide is FC(F)(F)C(F)(F)C(F)(F)/C(=N/C1CCCCC1)N/C(=N/C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide?
The InChIKey is IDSGXYMTWGJAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F14N3/c21-15(22,17(25,26)19(29,30)31)13(35-11-7-3-1-4-8-11)37-14(36-12-9-5-2-6-10-12)16(23,24)18(27,28)20(32,33)34/h11-12H,1-10H2,(H,35,36,37).
What are the key properties of N'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide?
N'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide has a molecular weight of 571.40 g/mol, XLogP of 7.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[N-cyclohexyl-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]-2,2,3,3,4,4,4-heptafluorobutanimidamide is sourced from PubChem (CID 132563573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).