1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine

C16H10Cl2F5N — CID 59157336

IUPAC1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine
SMILESC/N=C(/c1c(Cl)cc(-c2ccccc2)cc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H10Cl2F5N/c1-24-14(15(19,20)16(21,22)23)13-11(17)7-10(8-12(13)18)9-5-3-2-4-6-9/h2-8H,1H3/b24-14-
InChIKeyIXDPXQZRPUZLKO-OYKKKHCWSA-N
MW382.16 g/mol
LogP6.28
Rot. Bonds3

About 1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine

1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine (PubChem CID 59157336) has the molecular formula C16H10Cl2F5N and a molecular weight of 382.16 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine.

Molecular Properties

Compound Name1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine
PubChem CID59157336
Molecular FormulaC16H10Cl2F5N
Molecular Weight382.16 g/mol
Exact Mass381.01
IUPAC Name1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine
SMILESC/N=C(/c1c(Cl)cc(-c2ccccc2)cc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H10Cl2F5N/c1-24-14(15(19,20)16(21,22)23)13-11(17)7-10(8-12(13)18)9-5-3-2-4-6-9/h2-8H,1H3/b24-14-
InChIKeyIXDPXQZRPUZLKO-OYKKKHCWSA-N
XLogP6.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.16
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-Dichloro-4-trifluoromethylphenyl)toluene
CID 22170961
5-(3-Chloro-4-fluorophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 86715970
(E)-6-[3-chloro-5-methyl-4-[(Z)-5-methylidenehept-2-en-3-yl]phenyl]-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 130285779
1,3-dichloro-5-[(Z)-4-(3-chloro-4-methylphenyl)-1,1,1,4-tetrafluorobut-3-en-2-yl]benzene
CID 130291666
(6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine
CID 134343977
5-(3-Chlorophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 141330886
3-(3,5-Dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 141437549
1,3-Dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene
CID 143573774
1,3-dichloro-5-[(E)-4-(3-chloro-4-ethylphenyl)-1,1,1-trifluorobut-3-en-2-yl]benzene
CID 144496903
5-[4-(1-Chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 144535540
1,3-dichloro-5-methyl-2-propylbenzene;ethane;ethylcyclohexane;(E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 144910776
1,3-dichloro-5-[(E)-4-(3-chloro-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]benzene
CID 150210365

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine?
The IUPAC name of 1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine (CID 59157336) is 1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine.
What is the SMILES notation for 1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine?
The canonical SMILES for 1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine is C/N=C(/c1c(Cl)cc(-c2ccccc2)cc1Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine?
The InChIKey is IXDPXQZRPUZLKO-OYKKKHCWSA-N. The full InChI is InChI=1S/C16H10Cl2F5N/c1-24-14(15(19,20)16(21,22)23)13-11(17)7-10(8-12(13)18)9-5-3-2-4-6-9/h2-8H,1H3/b24-14-.
What are the key properties of 1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine?
1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine has a molecular weight of 382.16 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-phenylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine is sourced from PubChem (CID 59157336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).