(E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine

C23H21F2NO2 — CID 15038956

IUPAC(E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine
SMILESFC(F)(c1ccccc1)[C@@H](/C=N/OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H21F2NO2/c24-23(25,21-14-8-3-9-15-21)22(27-17-19-10-4-1-5-11-19)16-26-28-18-20-12-6-2-7-13-20/h1-16,22H,17-18H2/b26-16+/t22-/m1/s1
InChIKeyYWLFJJJGGLJXSQ-XDEFOSFOSA-N
MW381.42 g/mol
LogP5.57
Rot. Bonds9

About (E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine

(E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine (PubChem CID 15038956) has the molecular formula C23H21F2NO2 and a molecular weight of 381.42 g/mol. Its IUPAC name is (E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine.

Molecular Properties

Compound Name(E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine
PubChem CID15038956
Molecular FormulaC23H21F2NO2
Molecular Weight381.42 g/mol
Exact Mass381.15
IUPAC Name(E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine
SMILESFC(F)(c1ccccc1)[C@@H](/C=N/OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H21F2NO2/c24-23(25,21-14-8-3-9-15-21)22(27-17-19-10-4-1-5-11-19)16-26-28-18-20-12-6-2-7-13-20/h1-16,22H,17-18H2/b26-16+/t22-/m1/s1
InChIKeyYWLFJJJGGLJXSQ-XDEFOSFOSA-N
XLogP5.57
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.42
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine
CID 45269527
(Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine
CID 45272918
(Z)-N-(1,3-diphenylprop-2-ynoxy)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 101950518
(Z)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 134836998
(E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 134837350
[(E)-1,6-diphenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 139250976
[(E,2R)-1,6-diphenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 139250987
(E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine
CID 11054650
(NE)-N-[2-[(2S)-1-trityloxybut-3-en-2-yl]oxyethylidene]hydroxylamine
CID 57827498
(Z,2R,3R)-N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]-2,4-dimethyl-3-phenylmethoxypentan-1-imine
CID 6518340
(Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine
CID 6518409
N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine
CID 15038954

Frequently Asked Questions

What is the IUPAC name of (E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine?
The IUPAC name of (E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine (CID 15038956) is (E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine.
What is the SMILES notation for (E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine?
The canonical SMILES for (E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine is FC(F)(c1ccccc1)[C@@H](/C=N/OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine?
The InChIKey is YWLFJJJGGLJXSQ-XDEFOSFOSA-N. The full InChI is InChI=1S/C23H21F2NO2/c24-23(25,21-14-8-3-9-15-21)22(27-17-19-10-4-1-5-11-19)16-26-28-18-20-12-6-2-7-13-20/h1-16,22H,17-18H2/b26-16+/t22-/m1/s1.
What are the key properties of (E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine?
(E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine has a molecular weight of 381.42 g/mol, XLogP of 5.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine is sourced from PubChem (CID 15038956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).