(5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

C14H8BrF4NO — CID 107291120

IUPAC(5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESNc1ccc(Br)c(C(=O)c2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C14H8BrF4NO/c15-11-4-2-8(20)6-9(11)13(21)7-1-3-10(12(16)5-7)14(17,18)19/h1-6H,20H2
InChIKeyQZJUVIZSAXRPEY-UHFFFAOYSA-N
MW362.12 g/mol
LogP4.42
Rot. Bonds2

About (5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

(5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (PubChem CID 107291120) has the molecular formula C14H8BrF4NO and a molecular weight of 362.12 g/mol. Its IUPAC name is (5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
PubChem CID107291120
Molecular FormulaC14H8BrF4NO
Molecular Weight362.12 g/mol
Exact Mass360.97
IUPAC Name(5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESNc1ccc(Br)c(C(=O)c2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C14H8BrF4NO/c15-11-4-2-8(20)6-9(11)13(21)7-1-3-10(12(16)5-7)14(17,18)19/h1-6H,20H2
InChIKeyQZJUVIZSAXRPEY-UHFFFAOYSA-N
XLogP4.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.12
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291262
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
(2,5-dibromothiophen-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107967908
(3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288265
(2,4-dichlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291213
(2-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291200
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288117
(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288416
(5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone
CID 116602928
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288345

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (CID 107291120) is (5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is Nc1ccc(Br)c(C(=O)c2ccc(C(F)(F)F)c(F)c2)c1.
What is the InChIKey of (5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is QZJUVIZSAXRPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF4NO/c15-11-4-2-8(20)6-9(11)13(21)7-1-3-10(12(16)5-7)14(17,18)19/h1-6H,20H2.
What are the key properties of (5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
(5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 362.12 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107291120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).