methyl 2,2,2-trifluoro-N-phenylethanimidate

C9H8F3NO — CID 58153195

IUPACmethyl 2,2,2-trifluoro-N-phenylethanimidate
SMILESCO/C(=N\c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H8F3NO/c1-14-8(9(10,11)12)13-7-5-3-2-4-6-7/h2-6H,1H3/b13-8-
InChIKeyGGDXRSPIGWNPKJ-JYRVWZFOSA-N
MW203.16 g/mol
LogP2.93
Rot. Bonds1

About methyl 2,2,2-trifluoro-N-phenylethanimidate

methyl 2,2,2-trifluoro-N-phenylethanimidate (PubChem CID 58153195) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is methyl 2,2,2-trifluoro-N-phenylethanimidate.

Molecular Properties

Compound Namemethyl 2,2,2-trifluoro-N-phenylethanimidate
PubChem CID58153195
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Namemethyl 2,2,2-trifluoro-N-phenylethanimidate
SMILESCO/C(=N\c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H8F3NO/c1-14-8(9(10,11)12)13-7-5-3-2-4-6-7/h2-6H,1H3/b13-8-
InChIKeyGGDXRSPIGWNPKJ-JYRVWZFOSA-N
XLogP2.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.93
H-Bond Donors ≤ 50
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 methyl 2,2,2-trifluoro-N-phenylethanimidate?
The IUPAC name of methyl 2,2,2-trifluoro-N-phenylethanimidate (CID 58153195) is methyl 2,2,2-trifluoro-N-phenylethanimidate.
What is the SMILES notation for methyl 2,2,2-trifluoro-N-phenylethanimidate?
The canonical SMILES for methyl 2,2,2-trifluoro-N-phenylethanimidate is CO/C(=N\c1ccccc1)C(F)(F)F.
What is the InChIKey of methyl 2,2,2-trifluoro-N-phenylethanimidate?
The InChIKey is GGDXRSPIGWNPKJ-JYRVWZFOSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-14-8(9(10,11)12)13-7-5-3-2-4-6-7/h2-6H,1H3/b13-8-.
What are the key properties of methyl 2,2,2-trifluoro-N-phenylethanimidate?
methyl 2,2,2-trifluoro-N-phenylethanimidate has a molecular weight of 203.16 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,2-trifluoro-N-phenylethanimidate is sourced from PubChem (CID 58153195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).