1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine

C8H3Cl2F4N — CID 15914785

IUPAC1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine
SMILESCc1c(F)c(F)c(N=C(Cl)Cl)c(F)c1F
InChIInChI=1S/C8H3Cl2F4N/c1-2-3(11)5(13)7(15-8(9)10)6(14)4(2)12/h1H3
InChIKeyHGSWACBEOMBVAC-UHFFFAOYSA-N
MW260.02 g/mol
LogP4.02
Rot. Bonds1

About 1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine

1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine (PubChem CID 15914785) has the molecular formula C8H3Cl2F4N and a molecular weight of 260.02 g/mol. Its IUPAC name is 1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine.

Molecular Properties

Compound Name1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine
PubChem CID15914785
Molecular FormulaC8H3Cl2F4N
Molecular Weight260.02 g/mol
Exact Mass258.96
IUPAC Name1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine
SMILESCc1c(F)c(F)c(N=C(Cl)Cl)c(F)c1F
InChIInChI=1S/C8H3Cl2F4N/c1-2-3(11)5(13)7(15-8(9)10)6(14)4(2)12/h1H3
InChIKeyHGSWACBEOMBVAC-UHFFFAOYSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.02
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,2,4,5-tetrafluoro-3,6-dimethylbenzene
CID 160870042
2-chloro-3,4,6-trifluoro-5-methylbenzoyl chloride
CID 10776597
1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene
CID 3905536
1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene
CID 54011362
ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene
CID 142404647
CID 91484567
CID 91484567
2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol
CID 89375592
methyl (2,3,5,6-tetrafluoro-4-methylphenyl) carbonate
CID 118176061
2,4,5-trifluoro-3,6-dimethylaniline
CID 23359007
(2,4,5-trifluoro-3,6-dimethylphenyl)phosphane
CID 130441398
1-chloro-2,3,6-trifluoro-4,5-dimethylbenzene
CID 175248816
N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide
CID 113336760

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine?
The IUPAC name of 1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine (CID 15914785) is 1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine.
What is the SMILES notation for 1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine?
The canonical SMILES for 1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine is Cc1c(F)c(F)c(N=C(Cl)Cl)c(F)c1F.
What is the InChIKey of 1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine?
The InChIKey is HGSWACBEOMBVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F4N/c1-2-3(11)5(13)7(15-8(9)10)6(14)4(2)12/h1H3.
What are the key properties of 1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine?
1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine has a molecular weight of 260.02 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-N-(2,3,5,6-tetrafluoro-4-methylphenyl)methanimine is sourced from PubChem (CID 15914785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).