2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide

C12H21F3N2O — CID 103370926

IUPAC2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(COC1CCCCC1CC)C(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-2-8-5-3-4-6-10(8)18-7-9(11(16)17)12(13,14)15/h8-10H,2-7H2,1H3,(H3,16,17)
InChIKeyFUAJRNVYZIYBGC-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.09
Rot. Bonds5

About 2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide

2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370926) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370926
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(COC1CCCCC1CC)C(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-2-8-5-3-4-6-10(8)18-7-9(11(16)17)12(13,14)15/h8-10H,2-7H2,1H3,(H3,16,17)
InChIKeyFUAJRNVYZIYBGC-UHFFFAOYSA-N
XLogP3.09
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.09
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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Related Compounds

2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanethioamide
CID 103369046
3-(2-ethylcyclohexyl)oxypropanimidamide
CID 24694801
2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanenitrile
CID 103368274
1-cyclohexyl-2-(2-ethylcyclohexyl)oxyethanamine
CID 104748736
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370793
2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide
CID 103371449
2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide
CID 103371425
2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide
CID 43368534
3,3,3-trifluoro-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide
CID 103370849
3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide
CID 103371059
1-[2-(bromomethyl)butoxy]-2-ethylcyclohexane
CID 64994566
1-(2-ethylcyclohexyl)oxy-3-(methoxyamino)propan-2-ol
CID 60702585

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide (CID 103370926) is 2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(COC1CCCCC1CC)C(F)(F)F.
What is the InChIKey of 2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is FUAJRNVYZIYBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-2-8-5-3-4-6-10(8)18-7-9(11(16)17)12(13,14)15/h8-10H,2-7H2,1H3,(H3,16,17).
What are the key properties of 2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide?
2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 266.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).