N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine

C14H11F2N — CID 139246224

IUPACN-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine
SMILESC/C(=N\c1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C14H11F2N/c1-10(11-5-7-12(15)8-6-11)17-14-4-2-3-13(16)9-14/h2-9H,1H3/b17-10+
InChIKeyPUVUZIFOXDWGFV-LICLKQGHSA-N
MW231.24 g/mol
LogP4.11
Rot. Bonds2

About N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine

N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine (PubChem CID 139246224) has the molecular formula C14H11F2N and a molecular weight of 231.24 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine
PubChem CID139246224
Molecular FormulaC14H11F2N
Molecular Weight231.24 g/mol
Exact Mass231.09
IUPAC NameN-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine
SMILESC/C(=N\c1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C14H11F2N/c1-10(11-5-7-12(15)8-6-11)17-14-4-2-3-13(16)9-14/h2-9H,1H3/b17-10+
InChIKeyPUVUZIFOXDWGFV-LICLKQGHSA-N
XLogP4.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-N-(3-fluorophenyl)propan-2-imine
CID 130247360
N-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanimine
CID 139246217
1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588
4-(C-methyl-N-phenylcarbonimidoyl)phenol
CID 135442227
N'-(3-fluorophenyl)-3-methylbutanimidamide
CID 121219593
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11300013
2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine
CID 177400507
1,3-difluorobenzene;methanol
CID 144994633
diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride
CID 135544958
[1-(4-fluorophenyl)ethylideneamino]-trimethylazanium
CID 3943522
1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
CID 10265709

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine?
The IUPAC name of N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine (CID 139246224) is N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine.
What is the SMILES notation for N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine?
The canonical SMILES for N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine is C/C(=N\c1cccc(F)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine?
The InChIKey is PUVUZIFOXDWGFV-LICLKQGHSA-N. The full InChI is InChI=1S/C14H11F2N/c1-10(11-5-7-12(15)8-6-11)17-14-4-2-3-13(16)9-14/h2-9H,1H3/b17-10+.
What are the key properties of N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine?
N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine has a molecular weight of 231.24 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine is sourced from PubChem (CID 139246224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).