1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine

C13H7F4N — CID 102515633

IUPAC1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine
SMILESFc1cc(F)c(F)c(/N=C/c2ccccc2)c1F
InChIInChI=1S/C13H7F4N/c14-9-6-10(15)12(17)13(11(9)16)18-7-8-4-2-1-3-5-8/h1-7H/b18-7+
InChIKeyQQEXMUWNYDHECN-CNHKJKLMSA-N
MW253.20 g/mol
LogP3.99
Rot. Bonds2

About 1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine

1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine (PubChem CID 102515633) has the molecular formula C13H7F4N and a molecular weight of 253.20 g/mol. Its IUPAC name is 1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine.

Molecular Properties

Compound Name1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine
PubChem CID102515633
Molecular FormulaC13H7F4N
Molecular Weight253.20 g/mol
Exact Mass253.05
IUPAC Name1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine
SMILESFc1cc(F)c(F)c(/N=C/c2ccccc2)c1F
InChIInChI=1S/C13H7F4N/c14-9-6-10(15)12(17)13(11(9)16)18-7-8-4-2-1-3-5-8/h1-7H/b18-7+
InChIKeyQQEXMUWNYDHECN-CNHKJKLMSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine
CID 139193639
N,1-diphenylmethanimine
CID 10858
N-(3-bromo-2-fluorophenyl)-1-phenylmethanimine
CID 169130471
N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine
CID 21205042
1-(2,5-difluorophenyl)-N-phenylmethanimine
CID 23340889
1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 12643120
4,6-bis(benzylideneamino)benzene-1,3-diol
CID 58816982
CID 11342105
CID 11342105
N-(2-chloro-6-methylphenyl)-1-phenylmethanimine
CID 5152819
N-(2-fluorophenyl)-1-(4-fluorophenyl)methanimine
CID 23329235
1-phenyl-N-[4-(4-phenylphenyl)phenyl]methanimine
CID 101426517
(E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol
CID 122381477

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine?
The IUPAC name of 1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine (CID 102515633) is 1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine.
What is the SMILES notation for 1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine?
The canonical SMILES for 1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine is Fc1cc(F)c(F)c(/N=C/c2ccccc2)c1F.
What is the InChIKey of 1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine?
The InChIKey is QQEXMUWNYDHECN-CNHKJKLMSA-N. The full InChI is InChI=1S/C13H7F4N/c14-9-6-10(15)12(17)13(11(9)16)18-7-8-4-2-1-3-5-8/h1-7H/b18-7+.
What are the key properties of 1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine?
1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine has a molecular weight of 253.20 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine is sourced from PubChem (CID 102515633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).