N-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine

C16H10F7N — CID 10405506

IUPACN-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine
SMILESC/C(=N\c1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccccc1F
InChIInChI=1S/C16H10F7N/c1-9(11-4-2-3-5-13(11)17)24-14-8-10(15(18,19)20)6-7-12(14)16(21,22)23/h2-8H,1H3/b24-9+
InChIKeyNWPZLOKEVDKTDI-PGGKNCGUSA-N
MW349.25 g/mol
LogP6.00
Rot. Bonds2

About N-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine

N-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine (PubChem CID 10405506) has the molecular formula C16H10F7N and a molecular weight of 349.25 g/mol. Its IUPAC name is N-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine.

Molecular Properties

Compound NameN-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine
PubChem CID10405506
Molecular FormulaC16H10F7N
Molecular Weight349.25 g/mol
Exact Mass349.07
IUPAC NameN-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine
SMILESC/C(=N\c1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccccc1F
InChIInChI=1S/C16H10F7N/c1-9(11-4-2-3-5-13(11)17)24-14-8-10(15(18,19)20)6-7-12(14)16(21,22)23/h2-8H,1H3/b24-9+
InChIKeyNWPZLOKEVDKTDI-PGGKNCGUSA-N
XLogP6.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.25
LogP ≤ 56.00
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

N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 10340860
2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethylideneamino]acetic acid
CID 123850842
1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
CID 10265709
2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine
CID 22120088
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine
CID 45050983
4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol
CID 136835617
(Z)-1-(2-fluorophenyl)-N-methoxyethanimine
CID 18416418
1-(2-fluorophenyl)-N-(4-methoxyphenyl)ethanimine
CID 11299513
(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 57261811
1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene
CID 118140779
N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline
CID 143549898
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine
CID 130239193

Frequently Asked Questions

What is the IUPAC name of N-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine?
The IUPAC name of N-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine (CID 10405506) is N-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine.
What is the SMILES notation for N-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine?
The canonical SMILES for N-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine is C/C(=N\c1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccccc1F.
What is the InChIKey of N-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine?
The InChIKey is NWPZLOKEVDKTDI-PGGKNCGUSA-N. The full InChI is InChI=1S/C16H10F7N/c1-9(11-4-2-3-5-13(11)17)24-14-8-10(15(18,19)20)6-7-12(14)16(21,22)23/h2-8H,1H3/b24-9+.
What are the key properties of N-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine?
N-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine has a molecular weight of 349.25 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine is sourced from PubChem (CID 10405506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).