(2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine

C13H8Br2F3N — CID 79750062

IUPAC(2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1cc(Br)ccc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H8Br2F3N/c14-6-1-3-9(15)8(5-6)13(19)7-2-4-10(16)12(18)11(7)17/h1-5,13H,19H2
InChIKeyHSQCIGZZYPTZPD-UHFFFAOYSA-N
MW395.02 g/mol
LogP4.68
Rot. Bonds2

About (2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine

(2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 79750062) has the molecular formula C13H8Br2F3N and a molecular weight of 395.02 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID79750062
Molecular FormulaC13H8Br2F3N
Molecular Weight395.02 g/mol
Exact Mass392.90
IUPAC Name(2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1cc(Br)ccc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H8Br2F3N/c14-6-1-3-9(15)8(5-6)13(19)7-2-4-10(16)12(18)11(7)17/h1-5,13H,19H2
InChIKeyHSQCIGZZYPTZPD-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.02
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 66425066
(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 114369086
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855266
[(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 107948222
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105146562
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 107475989
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 102828028

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine (CID 79750062) is (2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine is NC(c1cc(Br)ccc1Br)c1ccc(F)c(F)c1F.
What is the InChIKey of (2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is HSQCIGZZYPTZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F3N/c14-6-1-3-9(15)8(5-6)13(19)7-2-4-10(16)12(18)11(7)17/h1-5,13H,19H2.
What are the key properties of (2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine?
(2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 395.02 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 79750062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).