(2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone

C15H11F4NO — CID 102756910

IUPAC(2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1cccc(F)c1N
InChIInChI=1S/C15H11F4NO/c1-8-7-9(15(17,18)19)5-6-10(8)14(21)11-3-2-4-12(16)13(11)20/h2-7H,20H2,1H3
InChIKeyREOOJXGCNATVKU-UHFFFAOYSA-N
MW297.25 g/mol
LogP3.97
Rot. Bonds2

About (2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone

(2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 102756910) has the molecular formula C15H11F4NO and a molecular weight of 297.25 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID102756910
Molecular FormulaC15H11F4NO
Molecular Weight297.25 g/mol
Exact Mass297.08
IUPAC Name(2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1cccc(F)c1N
InChIInChI=1S/C15H11F4NO/c1-8-7-9(15(17,18)19)5-6-10(8)14(21)11-3-2-4-12(16)13(11)20/h2-7H,20H2,1H3
InChIKeyREOOJXGCNATVKU-UHFFFAOYSA-N
XLogP3.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757184
(2-chloro-6-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757029
(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752464
[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone
CID 115911568
(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752670
(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851
(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757027
(4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756821
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 105489005
(2,5-dibromothiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107967866
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone
CID 115911534

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (CID 102756910) is (2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is Cc1cc(C(F)(F)F)ccc1C(=O)c1cccc(F)c1N.
What is the InChIKey of (2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is REOOJXGCNATVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO/c1-8-7-9(15(17,18)19)5-6-10(8)14(21)11-3-2-4-12(16)13(11)20/h2-7H,20H2,1H3.
What are the key properties of (2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
(2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 297.25 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 102756910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).