N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide

C11H19F3N2 — CID 63176958

IUPACN-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(CC)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-2-16(8-11(12,13)14)10(15)9-6-4-3-5-7-9/h9,15H,2-8H2,1H3/b15-10-
InChIKeyTUCSMTGSGAMTCR-GDNBJRDFSA-N
MW236.28 g/mol
LogP3.43
Rot. Bonds3

About N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide

N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide (PubChem CID 63176958) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
PubChem CID63176958
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(CC)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-2-16(8-11(12,13)14)10(15)9-6-4-3-5-7-9/h9,15H,2-8H2,1H3/b15-10-
InChIKeyTUCSMTGSGAMTCR-GDNBJRDFSA-N
XLogP3.43
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 53.43
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-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide (CID 63176958) is N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide is [H]/N=C(/C1CCCCC1)N(CC)CC(F)(F)F.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide?
The InChIKey is TUCSMTGSGAMTCR-GDNBJRDFSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-2-16(8-11(12,13)14)10(15)9-6-4-3-5-7-9/h9,15H,2-8H2,1H3/b15-10-.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide?
N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide has a molecular weight of 236.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63176958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).