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

C10H8F5NO — CID 602546

IUPACN-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine
SMILESCCC=NOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H8F5NO/c1-2-3-16-17-4-5-6(11)8(13)10(15)9(14)7(5)12/h3H,2,4H2,1H3
InChIKeyBOPZGAUHLLBMFA-UHFFFAOYSA-N
MW253.17 g/mol
LogP3.29
Rot. Bonds4

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

N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine (PubChem CID 602546) has the molecular formula C10H8F5NO and a molecular weight of 253.17 g/mol. Its IUPAC name is N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine.

Molecular Properties

Compound NameN-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine
PubChem CID602546
Molecular FormulaC10H8F5NO
Molecular Weight253.17 g/mol
Exact Mass253.05
IUPAC NameN-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine
SMILESCCC=NOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H8F5NO/c1-2-3-16-17-4-5-6(11)8(13)10(15)9(14)7(5)12/h3H,2,4H2,1H3
InChIKeyBOPZGAUHLLBMFA-UHFFFAOYSA-N
XLogP3.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine?
The IUPAC name of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine (CID 602546) is N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine.
What is the SMILES notation for N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine?
The canonical SMILES for N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine is CCC=NOCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine?
The InChIKey is BOPZGAUHLLBMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO/c1-2-3-16-17-4-5-6(11)8(13)10(15)9(14)7(5)12/h3H,2,4H2,1H3.
What are the key properties of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine?
N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine has a molecular weight of 253.17 g/mol, XLogP of 3.29, 4 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]propan-1-imine is sourced from PubChem (CID 602546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).