(Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine

C11H10F5NO — CID 5374760

IUPAC(Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine
SMILESCC/C(C)=N\OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5NO/c1-3-5(2)17-18-4-6-7(12)9(14)11(16)10(15)8(6)13/h3-4H2,1-2H3/b17-5-
InChIKeyLNDQFOSWZJYEIC-ZWSORDCHSA-N
MW267.20 g/mol
LogP3.68
Rot. Bonds4

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

(Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine (PubChem CID 5374760) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is (Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine.

Molecular Properties

Compound Name(Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine
PubChem CID5374760
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name(Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine
SMILESCC/C(C)=N\OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5NO/c1-3-5(2)17-18-4-6-7(12)9(14)11(16)10(15)8(6)13/h3-4H2,1-2H3/b17-5-
InChIKeyLNDQFOSWZJYEIC-ZWSORDCHSA-N
XLogP3.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 53.68
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 (Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine?
The IUPAC name of (Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine (CID 5374760) is (Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine.
What is the SMILES notation for (Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine?
The canonical SMILES for (Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine is CC/C(C)=N\OCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine?
The InChIKey is LNDQFOSWZJYEIC-ZWSORDCHSA-N. The full InChI is InChI=1S/C11H10F5NO/c1-3-5(2)17-18-4-6-7(12)9(14)11(16)10(15)8(6)13/h3-4H2,1-2H3/b17-5-.
What are the key properties of (Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine?
(Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine has a molecular weight of 267.20 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]butan-2-imine is sourced from PubChem (CID 5374760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).