(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine

C13H8BrF4N — CID 66425066

IUPAC(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1cc(F)cc(Br)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H8BrF4N/c14-7-3-6(4-8(15)5-7)13(19)9-1-2-10(16)12(18)11(9)17/h1-5,13H,19H2
InChIKeyDCZXNICSPLIZLW-UHFFFAOYSA-N
MW334.11 g/mol
LogP4.05
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine

(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 66425066) has the molecular formula C13H8BrF4N and a molecular weight of 334.11 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID66425066
Molecular FormulaC13H8BrF4N
Molecular Weight334.11 g/mol
Exact Mass332.98
IUPAC Name(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1cc(F)cc(Br)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H8BrF4N/c14-7-3-6(4-8(15)5-7)13(19)9-1-2-10(16)12(18)11(9)17/h1-5,13H,19H2
InChIKeyDCZXNICSPLIZLW-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 54.05
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

(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine
CID 106762682
[(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105238523
(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine
CID 114023013
(2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 79750062
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670
(3-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43248329
(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289052
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
CID 66425063
1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene
CID 63444025
1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene
CID 63430531
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 106267811

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine (CID 66425066) is (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine is NC(c1cc(F)cc(Br)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is DCZXNICSPLIZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF4N/c14-7-3-6(4-8(15)5-7)13(19)9-1-2-10(16)12(18)11(9)17/h1-5,13H,19H2.
What are the key properties of (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine?
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 334.11 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 66425066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).