N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide

C19H23F13N2 — CID 56696388

IUPACN,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide
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)F
InChIInChI=1S/C19H23F13N2/c20-14(21,15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32)13(33)34(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,33H,1-10H2/b33-13+
InChIKeyZXHMVPMCJMQVOR-IIHBXENTSA-N
MW526.38 g/mol
LogP7.67
Rot. Bonds7

About N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide

N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide (PubChem CID 56696388) has the molecular formula C19H23F13N2 and a molecular weight of 526.38 g/mol. Its IUPAC name is N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide
PubChem CID56696388
Molecular FormulaC19H23F13N2
Molecular Weight526.38 g/mol
Exact Mass526.17
IUPAC NameN,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide
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)F
InChIInChI=1S/C19H23F13N2/c20-14(21,15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32)13(33)34(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,33H,1-10H2/b33-13+
InChIKeyZXHMVPMCJMQVOR-IIHBXENTSA-N
XLogP7.67
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.38
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

N,N-dicyclohexyl-2,2,2-trifluoroethanimidamide
CID 117687825
N~1~,N~1~,N~6~,N~6~-tetracyclohexyl-2,2,3,3,4,4,5,5-octafluorohexanediimidamide
CID 5149834
N~1~,N~1~,N~8~,N~8~-tetracyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediimidamide
CID 5149835
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
n-(4,4-Difluorocyclohexyl)-n-methylpropanimidamide
CID 164650884

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide?
The IUPAC name of N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide (CID 56696388) is N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide.
What is the SMILES notation for N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide?
The canonical SMILES for N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide 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)F.
What is the InChIKey of N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide?
The InChIKey is ZXHMVPMCJMQVOR-IIHBXENTSA-N. The full InChI is InChI=1S/C19H23F13N2/c20-14(21,15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32)13(33)34(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,33H,1-10H2/b33-13+.
What are the key properties of N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide?
N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide has a molecular weight of 526.38 g/mol, XLogP of 7.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide is sourced from PubChem (CID 56696388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).