2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide

C11H19F3N2O — CID 103371042

IUPAC2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(COCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)9(10(15)16)7-17-6-8-4-2-1-3-5-8/h8-9H,1-7H2,(H3,15,16)
InChIKeyZUFHYMVMKNRRFN-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.70
Rot. Bonds5

About 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide

2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide (PubChem CID 103371042) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide
PubChem CID103371042
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(COCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)9(10(15)16)7-17-6-8-4-2-1-3-5-8/h8-9H,1-7H2,(H3,15,16)
InChIKeyZUFHYMVMKNRRFN-UHFFFAOYSA-N
XLogP2.70
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.70
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide (CID 103371042) is 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(COCC1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide?
The InChIKey is ZUFHYMVMKNRRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)9(10(15)16)7-17-6-8-4-2-1-3-5-8/h8-9H,1-7H2,(H3,15,16).
What are the key properties of 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide?
2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide has a molecular weight of 252.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103371042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).