N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine

C12H12F5N — CID 11242538

IUPACN-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine
SMILESCCCCC/C=N/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H12F5N/c1-2-3-4-5-6-18-12-10(16)8(14)7(13)9(15)11(12)17/h6H,2-5H2,1H3/b18-6+
InChIKeyNCWOADVXBUQXNU-NGYBGAFCSA-N
MW265.22 g/mol
LogP4.66
Rot. Bonds5

About N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine

N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine (PubChem CID 11242538) has the molecular formula C12H12F5N and a molecular weight of 265.22 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine
PubChem CID11242538
Molecular FormulaC12H12F5N
Molecular Weight265.22 g/mol
Exact Mass265.09
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine
SMILESCCCCC/C=N/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H12F5N/c1-2-3-4-5-6-18-12-10(16)8(14)7(13)9(15)11(12)17/h6H,2-5H2,1H3/b18-6+
InChIKeyNCWOADVXBUQXNU-NGYBGAFCSA-N
XLogP4.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine
CID 602550
N-(4-chlorophenyl)hexan-1-imine
CID 91100522
N-(2,6-ditert-butylphenyl)octan-1-imine
CID 42636627
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
N-(4-methylphenyl)nonan-1-imine
CID 10998858
N-methyloctadecan-1-imine
CID 54409483
(NE)-N-octylidenehydroxylamine
CID 5385260
2-(nonylideneamino)phenol
CID 100954410
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine (CID 11242538) is N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine is CCCCC/C=N/c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine?
The InChIKey is NCWOADVXBUQXNU-NGYBGAFCSA-N. The full InChI is InChI=1S/C12H12F5N/c1-2-3-4-5-6-18-12-10(16)8(14)7(13)9(15)11(12)17/h6H,2-5H2,1H3/b18-6+.
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine?
N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine has a molecular weight of 265.22 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine is sourced from PubChem (CID 11242538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).