1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine

C14H8F5NO — CID 12643120

IUPAC1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESCOc1ccc(/C=N/c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C14H8F5NO/c1-21-8-4-2-7(3-5-8)6-20-14-12(18)10(16)9(15)11(17)13(14)19/h2-6H,1H3/b20-6+
InChIKeyUKUNBXCHURTUDW-CGOBSMCZSA-N
MW301.21 g/mol
LogP4.14
Rot. Bonds3

About 1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine

1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine (PubChem CID 12643120) has the molecular formula C14H8F5NO and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
PubChem CID12643120
Molecular FormulaC14H8F5NO
Molecular Weight301.21 g/mol
Exact Mass301.05
IUPAC Name1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESCOc1ccc(/C=N/c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C14H8F5NO/c1-21-8-4-2-7(3-5-8)6-20-14-12(18)10(16)9(15)11(17)13(14)19/h2-6H,1H3/b20-6+
InChIKeyUKUNBXCHURTUDW-CGOBSMCZSA-N
XLogP4.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.14
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'}

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Related Compounds

1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde
CID 145351672
N-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)methanimine
CID 693625
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
(E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine
CID 10846258
1-(4-methoxyphenyl)-N-methylmethanimine;propane
CID 142550008
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
CID 11033526

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine (CID 12643120) is 1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine is COc1ccc(/C=N/c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine?
The InChIKey is UKUNBXCHURTUDW-CGOBSMCZSA-N. The full InChI is InChI=1S/C14H8F5NO/c1-21-8-4-2-7(3-5-8)6-20-14-12(18)10(16)9(15)11(17)13(14)19/h2-6H,1H3/b20-6+.
What are the key properties of 1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine?
1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine has a molecular weight of 301.21 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine is sourced from PubChem (CID 12643120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).