N-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine

C18H19F2NO — CID 155686056

IUPACN-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine
SMILESCOC(c1ccccc1)c1ccc(/C=N/CC(C)(F)F)cc1
InChIInChI=1S/C18H19F2NO/c1-18(19,20)13-21-12-14-8-10-16(11-9-14)17(22-2)15-6-4-3-5-7-15/h3-12,17H,13H2,1-2H3/b21-12+
InChIKeyOZYILXWPRDHJRM-CIAFOILYSA-N
MW303.35 g/mol
LogP4.50
Rot. Bonds6

About N-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine

N-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine (PubChem CID 155686056) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine
PubChem CID155686056
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC NameN-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine
SMILESCOC(c1ccccc1)c1ccc(/C=N/CC(C)(F)F)cc1
InChIInChI=1S/C18H19F2NO/c1-18(19,20)13-21-12-14-8-10-16(11-9-14)17(22-2)15-6-4-3-5-7-15/h3-12,17H,13H2,1-2H3/b21-12+
InChIKeyOZYILXWPRDHJRM-CIAFOILYSA-N
XLogP4.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547849
2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519401
2-(4-Heptylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519398
2-(4-Octylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519399
2-(4-Nonylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519400
2-(4-hexylphenyl)-5,6-dihydro-4H-1,3-oxazine
CID 137642568
3-[4-(trifluoromethyl)phenyl]-N-(2,4,4-trimethylpentan-2-yl)-3H-2-benzofuran-1-imine
CID 12153067
1-(Isopropoxy(phenyl)methyl)-4-(trifluoromethyl)benzene
CID 124081653
2,6-Diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine
CID 132602178
(5S)-5-fluoro-2-phenyl-6-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine
CID 134959921
benzyl (NZ)-N-[[4-(trifluoromethyl)phenyl]methylidene]carbamate
CID 135019829
benzyl (NE)-N-[[4-(trifluoromethyl)phenyl]methylidene]carbamate
CID 135075983

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine?
The IUPAC name of N-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine (CID 155686056) is N-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine.
What is the SMILES notation for N-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine?
The canonical SMILES for N-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine is COC(c1ccccc1)c1ccc(/C=N/CC(C)(F)F)cc1.
What is the InChIKey of N-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine?
The InChIKey is OZYILXWPRDHJRM-CIAFOILYSA-N. The full InChI is InChI=1S/C18H19F2NO/c1-18(19,20)13-21-12-14-8-10-16(11-9-14)17(22-2)15-6-4-3-5-7-15/h3-12,17H,13H2,1-2H3/b21-12+.
What are the key properties of N-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine?
N-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine has a molecular weight of 303.35 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine is sourced from PubChem (CID 155686056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).