4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide

C10H11F3N2O — CID 24703974

IUPAC4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)6-16-5-7-1-3-8(4-2-7)9(14)15/h1-4H,5-6H2,(H3,14,15)
InChIKeySLHBOXGXSVOABV-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.05
Rot. Bonds4

About 4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide

4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide (PubChem CID 24703974) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
PubChem CID24703974
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)6-16-5-7-1-3-8(4-2-7)9(14)15/h1-4H,5-6H2,(H3,14,15)
InChIKeySLHBOXGXSVOABV-UHFFFAOYSA-N
XLogP2.05
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.05
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

4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide
CID 29004868
4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240742
4-(2,2,2-trifluoroethoxymethyl)benzenecarbothioamide
CID 24698396
4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 91641393
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
4-(hexoxymethyl)benzenecarboximidamide
CID 29003065
4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 106705056
4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253711
acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 75537360
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide (CID 24703974) is 4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide?
The InChIKey is SLHBOXGXSVOABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)6-16-5-7-1-3-8(4-2-7)9(14)15/h1-4H,5-6H2,(H3,14,15).
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide?
4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide has a molecular weight of 232.21 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 24703974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).