1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine

C18H11F4N3 — CID 88974937

IUPAC1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine
SMILESFc1cc(/C(=N/c2ccccc2)c2ncccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H11F4N3/c19-14-10-12(9-13(11-14)18(20,21)22)16(17-23-7-4-8-24-17)25-15-5-2-1-3-6-15/h1-11H/b25-16-
InChIKeyNSKKMDLTPQNYMV-XYGWBWBKSA-N
MW345.30 g/mol
LogP4.80
Rot. Bonds3

About 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine

1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine (PubChem CID 88974937) has the molecular formula C18H11F4N3 and a molecular weight of 345.30 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine
PubChem CID88974937
Molecular FormulaC18H11F4N3
Molecular Weight345.30 g/mol
Exact Mass345.09
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine
SMILESFc1cc(/C(=N/c2ccccc2)c2ncccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H11F4N3/c19-14-10-12(9-13(11-14)18(20,21)22)16(17-23-7-4-8-24-17)25-15-5-2-1-3-6-15/h1-11H/b25-16-
InChIKeyNSKKMDLTPQNYMV-XYGWBWBKSA-N
XLogP4.80
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
CID 2317227
3-fluorobenzoic acid;3-fluoro-5-(trifluoromethyl)benzoic acid
CID 160578219
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146008767
[3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134621945
(E)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-en-1-one
CID 146008765
(4-fluorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone;N-[(4-fluorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 161087576
N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine
CID 140904704
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine
CID 177400507
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11300013
[3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone
CID 166848332
(R)-N-[(5-chloro-2-pyridinyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 86612965
N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 174537026

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine (CID 88974937) is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine is Fc1cc(/C(=N/c2ccccc2)c2ncccn2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine?
The InChIKey is NSKKMDLTPQNYMV-XYGWBWBKSA-N. The full InChI is InChI=1S/C18H11F4N3/c19-14-10-12(9-13(11-14)18(20,21)22)16(17-23-7-4-8-24-17)25-15-5-2-1-3-6-15/h1-11H/b25-16-.
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine?
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine has a molecular weight of 345.30 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenyl-1-pyrimidin-2-ylmethanimine is sourced from PubChem (CID 88974937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).