(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine

C13H9BrF3N — CID 43197612

IUPAC(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1ccc(Br)cc1F
InChIInChI=1S/C13H9BrF3N/c14-8-2-3-9(11(16)6-8)13(18)7-1-4-10(15)12(17)5-7/h1-6,13H,18H2
InChIKeySYDJIWGXAJRRHS-UHFFFAOYSA-N
MW316.12 g/mol
LogP3.91
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine

(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine (PubChem CID 43197612) has the molecular formula C13H9BrF3N and a molecular weight of 316.12 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
PubChem CID43197612
Molecular FormulaC13H9BrF3N
Molecular Weight316.12 g/mol
Exact Mass314.99
IUPAC Name(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1ccc(Br)cc1F
InChIInChI=1S/C13H9BrF3N/c14-8-2-3-9(11(16)6-8)13(18)7-1-4-10(15)12(17)5-7/h1-6,13H,18H2
InChIKeySYDJIWGXAJRRHS-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43805150
(4-bromo-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 43186704
(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114906176
(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61027758
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
CID 114906021
(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 114906102
N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491332
4-bromo-1,2-difluorobenzene;dihydrofluoride
CID 174492303
4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene
CID 55199317
4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
(4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
CID 62324313
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine?
The IUPAC name of (4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine (CID 43197612) is (4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine is NC(c1ccc(F)c(F)c1)c1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine?
The InChIKey is SYDJIWGXAJRRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N/c14-8-2-3-9(11(16)6-8)13(18)7-1-4-10(15)12(17)5-7/h1-6,13H,18H2.
What are the key properties of (4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine?
(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine has a molecular weight of 316.12 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 43197612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).