N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine

C19H19F2N5O2 — CID 140707692

IUPACN-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine
SMILESCC(=NOCc1ccc(C(C)(F)F)cc1)c1ccc(OCc2nn[nH]n2)cc1
InChIInChI=1S/C19H19F2N5O2/c1-13(24-28-11-14-3-7-16(8-4-14)19(2,20)21)15-5-9-17(10-6-15)27-12-18-22-25-26-23-18/h3-10H,11-12H2,1-2H3,(H,22,23,25,26)
InChIKeyJGIAZIQNXTVQHQ-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.83
Rot. Bonds8

About N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine

N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine (PubChem CID 140707692) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine.

Molecular Properties

Compound NameN-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine
PubChem CID140707692
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC NameN-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine
SMILESCC(=NOCc1ccc(C(C)(F)F)cc1)c1ccc(OCc2nn[nH]n2)cc1
InChIInChI=1S/C19H19F2N5O2/c1-13(24-28-11-14-3-7-16(8-4-14)19(2,20)21)15-5-9-17(10-6-15)27-12-18-22-25-26-23-18/h3-10H,11-12H2,1-2H3,(H,22,23,25,26)
InChIKeyJGIAZIQNXTVQHQ-UHFFFAOYSA-N
XLogP3.83
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118248793
2-[5-[[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]tetrazol-2-yl]ethanol
CID 118248832
1-[2-chloro-6-(2H-tetrazol-5-ylmethoxy)-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118954185
(E)-1-(4-prop-2-ynoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118954273
2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]acetonitrile
CID 118238868
3-methyl-1-[4-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]butan-2-one
CID 123786679
(E)-1-[4-(triazol-2-ylmethoxy)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118248780
N-[[3-methoxy-4-(trifluoromethyl)phenyl]methoxy]-1-[6-(2H-tetrazol-5-ylmethoxy)-3-pyridinyl]ethanimine
CID 118954275
1-[[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]pyrrolidine-2,5-dione
CID 118238893
1-[[4-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]pyrrolidine-2,5-dione
CID 118954254
[(E)-N-hydroxy-C-[[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]carbonimidoyl]carbamic acid
CID 137002254
1-cyclobutyl-2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]ethanone
CID 86292802

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine?
The IUPAC name of N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine (CID 140707692) is N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine.
What is the SMILES notation for N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine?
The canonical SMILES for N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine is CC(=NOCc1ccc(C(C)(F)F)cc1)c1ccc(OCc2nn[nH]n2)cc1.
What is the InChIKey of N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine?
The InChIKey is JGIAZIQNXTVQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-13(24-28-11-14-3-7-16(8-4-14)19(2,20)21)15-5-9-17(10-6-15)27-12-18-22-25-26-23-18/h3-10H,11-12H2,1-2H3,(H,22,23,25,26).
What are the key properties of N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine?
N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine has a molecular weight of 387.39 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine is sourced from PubChem (CID 140707692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).