(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine

C13H15ClF3NO2 — CID 88957466

IUPAC(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine
SMILESCC/C(=N\OCCOC)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C13H15ClF3NO2/c1-3-12(18-20-7-6-19-2)10-8-9(14)4-5-11(10)13(15,16)17/h4-5,8H,3,6-7H2,1-2H3/b18-12+
InChIKeyKDDMVMOSWFMUCF-LDADJPATSA-N
MW309.72 g/mol
LogP4.14
Rot. Bonds6

About (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine (PubChem CID 88957466) has the molecular formula C13H15ClF3NO2 and a molecular weight of 309.72 g/mol. Its IUPAC name is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine.

Molecular Properties

Compound Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine
PubChem CID88957466
Molecular FormulaC13H15ClF3NO2
Molecular Weight309.72 g/mol
Exact Mass309.07
IUPAC Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine
SMILESCC/C(=N\OCCOC)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C13H15ClF3NO2/c1-3-12(18-20-7-6-19-2)10-8-9(14)4-5-11(10)13(15,16)17/h4-5,8H,3,6-7H2,1-2H3/b18-12+
InChIKeyKDDMVMOSWFMUCF-LDADJPATSA-N
XLogP4.14
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine
CID 123957835
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenoxy]propan-1-imine
CID 88957426
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxypropan-1-imine
CID 88957435
CID 172986959
CID 172986959
CID 172959901
CID 172959901
CID 172952844
CID 172952844
CID 172944200
CID 172944200
(E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine
CID 88957446
(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine
CID 88957365
(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine
CID 88957258
N-[4-chloro-2-[C-ethyl-N-(2,2,2-trifluoroethoxy)carbonimidoyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 91037463
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine
CID 88957299

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine?
The IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine (CID 88957466) is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine.
What is the SMILES notation for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine?
The canonical SMILES for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine is CC/C(=N\OCCOC)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine?
The InChIKey is KDDMVMOSWFMUCF-LDADJPATSA-N. The full InChI is InChI=1S/C13H15ClF3NO2/c1-3-12(18-20-7-6-19-2)10-8-9(14)4-5-11(10)13(15,16)17/h4-5,8H,3,6-7H2,1-2H3/b18-12+.
What are the key properties of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine?
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine has a molecular weight of 309.72 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine is sourced from PubChem (CID 88957466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).