methyl N-[4-(trifluoromethyl)phenyl]methanimidate

C9H8F3NO — CID 142914035

IUPACmethyl N-[4-(trifluoromethyl)phenyl]methanimidate
SMILESCO/C=N/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO/c1-14-6-13-8-4-2-7(3-5-8)9(10,11)12/h2-6H,1H3/b13-6+
InChIKeyJZYOGVWKEXCCNO-AWNIVKPZSA-N
MW203.16 g/mol
LogP3.01
Rot. Bonds2

About methyl N-[4-(trifluoromethyl)phenyl]methanimidate

methyl N-[4-(trifluoromethyl)phenyl]methanimidate (PubChem CID 142914035) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is methyl N-[4-(trifluoromethyl)phenyl]methanimidate.

Molecular Properties

Compound Namemethyl N-[4-(trifluoromethyl)phenyl]methanimidate
PubChem CID142914035
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Namemethyl N-[4-(trifluoromethyl)phenyl]methanimidate
SMILESCO/C=N/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO/c1-14-6-13-8-4-2-7(3-5-8)9(10,11)12/h2-6H,1H3/b13-6+
InChIKeyJZYOGVWKEXCCNO-AWNIVKPZSA-N
XLogP3.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 53.01
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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Related Compounds

5-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]iminomethyl]-1,2-dihydropyrazol-3-one
CID 1487901
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanimine
CID 74057330
1,4-bis(trifluoromethyl)benzene;1,1,1,3,3-pentafluorobutane
CID 174165148
1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 59729397
diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane
CID 90171015
chromium;1-pyrrol-1-id-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine
CID 23578453
N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine
CID 139384645
N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine
CID 175162135
4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde
CID 129101740
(4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 125475798
dimethoxy-[4-(trifluoromethyl)phenyl]borane
CID 71413161
2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 53483171

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(trifluoromethyl)phenyl]methanimidate?
The IUPAC name of methyl N-[4-(trifluoromethyl)phenyl]methanimidate (CID 142914035) is methyl N-[4-(trifluoromethyl)phenyl]methanimidate.
What is the SMILES notation for methyl N-[4-(trifluoromethyl)phenyl]methanimidate?
The canonical SMILES for methyl N-[4-(trifluoromethyl)phenyl]methanimidate is CO/C=N/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl N-[4-(trifluoromethyl)phenyl]methanimidate?
The InChIKey is JZYOGVWKEXCCNO-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-14-6-13-8-4-2-7(3-5-8)9(10,11)12/h2-6H,1H3/b13-6+.
What are the key properties of methyl N-[4-(trifluoromethyl)phenyl]methanimidate?
methyl N-[4-(trifluoromethyl)phenyl]methanimidate has a molecular weight of 203.16 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(trifluoromethyl)phenyl]methanimidate is sourced from PubChem (CID 142914035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).