1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine

C9H7F4N — CID 142918482

IUPAC1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine
SMILESC/N=C/c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C9H7F4N/c1-14-5-6-4-7(10)2-3-8(6)9(11,12)13/h2-5H,1H3/b14-5+
InChIKeyVFRPRKWHFIRNKY-LHHJGKSTSA-N
MW205.15 g/mol
LogP2.89
Rot. Bonds1

About 1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine

1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine (PubChem CID 142918482) has the molecular formula C9H7F4N and a molecular weight of 205.15 g/mol. Its IUPAC name is 1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine
PubChem CID142918482
Molecular FormulaC9H7F4N
Molecular Weight205.15 g/mol
Exact Mass205.05
IUPAC Name1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine
SMILESC/N=C/c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C9H7F4N/c1-14-5-6-4-7(10)2-3-8(6)9(11,12)13/h2-5H,1H3/b14-5+
InChIKeyVFRPRKWHFIRNKY-LHHJGKSTSA-N
XLogP2.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine?
The IUPAC name of 1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine (CID 142918482) is 1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine.
What is the SMILES notation for 1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine?
The canonical SMILES for 1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine is C/N=C/c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of 1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine?
The InChIKey is VFRPRKWHFIRNKY-LHHJGKSTSA-N. The full InChI is InChI=1S/C9H7F4N/c1-14-5-6-4-7(10)2-3-8(6)9(11,12)13/h2-5H,1H3/b14-5+.
What are the key properties of 1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine?
1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine has a molecular weight of 205.15 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine is sourced from PubChem (CID 142918482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).