N,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide

C14H23F3N2 — CID 118960341

IUPACN,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide
SMILESFC(F)(F)/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)13(18-11-7-3-1-4-8-11)19-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,18,19)
InChIKeyRZFIRAIHOMZGNH-UHFFFAOYSA-N
MW276.35 g/mol
LogP4.20
Rot. Bonds2

About N,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide

N,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide (PubChem CID 118960341) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is N,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound NameN,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide
PubChem CID118960341
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC NameN,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide
SMILESFC(F)(F)/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)13(18-11-7-3-1-4-8-11)19-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,18,19)
InChIKeyRZFIRAIHOMZGNH-UHFFFAOYSA-N
XLogP4.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 54.20
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide?
The IUPAC name of N,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide (CID 118960341) is N,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide.
What is the SMILES notation for N,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide?
The canonical SMILES for N,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide is FC(F)(F)/C(=N\C1CCCCC1)NC1CCCCC1.
What is the InChIKey of N,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide?
The InChIKey is RZFIRAIHOMZGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)13(18-11-7-3-1-4-8-11)19-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,18,19).
What are the key properties of N,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide?
N,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide has a molecular weight of 276.35 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide is sourced from PubChem (CID 118960341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).