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

C10H17F3N2 — CID 63176170

IUPACN-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)CC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-15(7-10(11,12)13)9(14)8-5-3-2-4-6-8/h8,14H,2-7H2,1H3/b14-9-
InChIKeyQWTLQFHCHCWVFV-ZROIWOOFSA-N
MW222.25 g/mol
LogP3.04
Rot. Bonds2

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

N-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide (PubChem CID 63176170) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
PubChem CID63176170
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)CC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-15(7-10(11,12)13)9(14)8-5-3-2-4-6-8/h8,14H,2-7H2,1H3/b14-9-
InChIKeyQWTLQFHCHCWVFV-ZROIWOOFSA-N
XLogP3.04
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.04
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-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide (CID 63176170) is N-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide is [H]/N=C(/C1CCCCC1)N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide?
The InChIKey is QWTLQFHCHCWVFV-ZROIWOOFSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-15(7-10(11,12)13)9(14)8-5-3-2-4-6-8/h8,14H,2-7H2,1H3/b14-9-.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide?
N-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide has a molecular weight of 222.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63176170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).