N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine

C15H18F5NO — CID 602550

IUPACN-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine
SMILESCCCCCCCC=NOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H18F5NO/c1-2-3-4-5-6-7-8-21-22-9-10-11(16)13(18)15(20)14(19)12(10)17/h8H,2-7,9H2,1H3
InChIKeyRLSQIXNUITTXKZ-UHFFFAOYSA-N
MW323.31 g/mol
LogP5.24
Rot. Bonds9

About N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine

N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine (PubChem CID 602550) has the molecular formula C15H18F5NO and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine.

Molecular Properties

Compound NameN-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine
PubChem CID602550
Molecular FormulaC15H18F5NO
Molecular Weight323.31 g/mol
Exact Mass323.13
IUPAC NameN-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine
SMILESCCCCCCCC=NOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H18F5NO/c1-2-3-4-5-6-7-8-21-22-9-10-11(16)13(18)15(20)14(19)12(10)17/h8H,2-7,9H2,1H3
InChIKeyRLSQIXNUITTXKZ-UHFFFAOYSA-N
XLogP5.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.31
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine
CID 71433851
(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
(E)-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]heptan-3-imine
CID 91752800
N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine
CID 11242538
(E)-N-pentoxypentan-1-imine
CID 18714719
2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine
CID 602213
4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol
CID 177409244
2-N,3-N-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]butane-2,3-diimine
CID 5374811
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
(nonylideneamino) acetate
CID 90921224
methyl (Z,9E,12Z)-9,12-bis[(2,3,4,5,6-pentafluorophenyl)methoxyimino]dodec-10-enoate
CID 91752405
N-methyloctadecan-1-imine
CID 54409483

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine?
The IUPAC name of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine (CID 602550) is N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine.
What is the SMILES notation for N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine?
The canonical SMILES for N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine is CCCCCCCC=NOCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine?
The InChIKey is RLSQIXNUITTXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F5NO/c1-2-3-4-5-6-7-8-21-22-9-10-11(16)13(18)15(20)14(19)12(10)17/h8H,2-7,9H2,1H3.
What are the key properties of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine?
N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine has a molecular weight of 323.31 g/mol, XLogP of 5.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine is sourced from PubChem (CID 602550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).