1-[3-(trifluoromethoxy)phenyl]ethanimine

C9H8F3NO — CID 118459400

IUPAC1-[3-(trifluoromethoxy)phenyl]ethanimine
SMILES[H]/N=C(\C)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H8F3NO/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-5,13H,1H3/b13-6+
InChIKeyBTVPWKAQHHXWHC-AWNIVKPZSA-N
MW203.16 g/mol
LogP2.97
Rot. Bonds2

About 1-[3-(trifluoromethoxy)phenyl]ethanimine

1-[3-(trifluoromethoxy)phenyl]ethanimine (PubChem CID 118459400) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)phenyl]ethanimine.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)phenyl]ethanimine
PubChem CID118459400
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name1-[3-(trifluoromethoxy)phenyl]ethanimine
SMILES[H]/N=C(\C)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H8F3NO/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-5,13H,1H3/b13-6+
InChIKeyBTVPWKAQHHXWHC-AWNIVKPZSA-N
XLogP2.97
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-(trifluoromethoxy)phenyl]ethanimine?
The IUPAC name of 1-[3-(trifluoromethoxy)phenyl]ethanimine (CID 118459400) is 1-[3-(trifluoromethoxy)phenyl]ethanimine.
What is the SMILES notation for 1-[3-(trifluoromethoxy)phenyl]ethanimine?
The canonical SMILES for 1-[3-(trifluoromethoxy)phenyl]ethanimine is [H]/N=C(\C)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethoxy)phenyl]ethanimine?
The InChIKey is BTVPWKAQHHXWHC-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-5,13H,1H3/b13-6+.
What are the key properties of 1-[3-(trifluoromethoxy)phenyl]ethanimine?
1-[3-(trifluoromethoxy)phenyl]ethanimine has a molecular weight of 203.16 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)phenyl]ethanimine is sourced from PubChem (CID 118459400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).