N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine

C17H14F5NO2 — CID 155686082

IUPACN-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine
SMILESCC(F)(F)C/N=C/c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H14F5NO2/c1-16(18,19)11-23-10-12-2-4-13(5-3-12)24-14-6-8-15(9-7-14)25-17(20,21)22/h2-10H,11H2,1H3/b23-10+
InChIKeyIPZJFVCYIFTQEK-AUEPDCJTSA-N
MW359.29 g/mol
LogP5.45
Rot. Bonds6

About N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine

N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine (PubChem CID 155686082) has the molecular formula C17H14F5NO2 and a molecular weight of 359.29 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine
PubChem CID155686082
Molecular FormulaC17H14F5NO2
Molecular Weight359.29 g/mol
Exact Mass359.09
IUPAC NameN-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine
SMILESCC(F)(F)C/N=C/c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H14F5NO2/c1-16(18,19)11-23-10-12-2-4-13(5-3-12)24-14-6-8-15(9-7-14)25-17(20,21)22/h2-10H,11H2,1H3/b23-10+
InChIKeyIPZJFVCYIFTQEK-AUEPDCJTSA-N
XLogP5.45
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.29
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(trifluoromethoxy)phenyl]methylideneamino]ethanethial
CID 90907330
(NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide
CID 58570940
N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343925
N-hexyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343830
N-methylethanamine;4-(trifluoromethoxy)benzaldehyde
CID 171100197
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
1-[(Z)-prop-1-enyl]-4-(trifluoromethoxy)benzene
CID 153000469
N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343809
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
N-hydroxy-2,2-dimethyl-3-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methylamino]propanamide;propane
CID 159450635
(E)-4-[4-(trifluoromethoxy)phenyl]but-3-enal
CID 87333465
2-methyl-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
CID 79330887

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine?
The IUPAC name of N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine (CID 155686082) is N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine.
What is the SMILES notation for N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine?
The canonical SMILES for N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine is CC(F)(F)C/N=C/c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine?
The InChIKey is IPZJFVCYIFTQEK-AUEPDCJTSA-N. The full InChI is InChI=1S/C17H14F5NO2/c1-16(18,19)11-23-10-12-2-4-13(5-3-12)24-14-6-8-15(9-7-14)25-17(20,21)22/h2-10H,11H2,1H3/b23-10+.
What are the key properties of N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine?
N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine has a molecular weight of 359.29 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine is sourced from PubChem (CID 155686082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).