1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide

C32H46F12N4 — CID 5149835

IUPAC1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide
SMILES[H]/N=C(/N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(=N\[H])N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H46F12N4/c33-27(34,25(45)47(21-13-5-1-6-14-21)22-15-7-2-8-16-22)29(37,38)31(41,42)32(43,44)30(39,40)28(35,36)26(46)48(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-24,45-46H,1-20H2/b45-25+,46-26+
InChIKeyFSXSVRXRXPVIJH-HMFMVHCKSA-N
MW714.72 g/mol
LogP10.69
Rot. Bonds11

About 1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide

1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide (PubChem CID 5149835) has the molecular formula C32H46F12N4 and a molecular weight of 714.72 g/mol. Its IUPAC name is 1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide.

Molecular Properties

Compound Name1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide
PubChem CID5149835
Molecular FormulaC32H46F12N4
Molecular Weight714.72 g/mol
Exact Mass714.35
IUPAC Name1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide
SMILES[H]/N=C(/N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(=N\[H])N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H46F12N4/c33-27(34,25(45)47(21-13-5-1-6-14-21)22-15-7-2-8-16-22)29(37,38)31(41,42)32(43,44)30(39,40)28(35,36)26(46)48(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-24,45-46H,1-20H2/b45-25+,46-26+
InChIKeyFSXSVRXRXPVIJH-HMFMVHCKSA-N
XLogP10.69
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.72
LogP ≤ 510.69
H-Bond Donors ≤ 52
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 1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide?
The IUPAC name of 1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide (CID 5149835) is 1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide.
What is the SMILES notation for 1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide?
The canonical SMILES for 1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide is [H]/N=C(/N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(=N\[H])N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide?
The InChIKey is FSXSVRXRXPVIJH-HMFMVHCKSA-N. The full InChI is InChI=1S/C32H46F12N4/c33-27(34,25(45)47(21-13-5-1-6-14-21)22-15-7-2-8-16-22)29(37,38)31(41,42)32(43,44)30(39,40)28(35,36)26(46)48(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-24,45-46H,1-20H2/b45-25+,46-26+.
What are the key properties of 1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide?
1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide has a molecular weight of 714.72 g/mol, XLogP of 10.69, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,8-N,8-N-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide is sourced from PubChem (CID 5149835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).