(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine

C13H8BrClF3N — CID 105398640

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1F)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C13H8BrClF3N/c14-9-5-12(18)8(4-10(9)15)13(19)7-2-1-6(16)3-11(7)17/h1-5,13H,19H2
InChIKeyQBMCFJUKQBTISU-UHFFFAOYSA-N
MW350.57 g/mol
LogP4.57
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine

(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine (PubChem CID 105398640) has the molecular formula C13H8BrClF3N and a molecular weight of 350.57 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine
PubChem CID105398640
Molecular FormulaC13H8BrClF3N
Molecular Weight350.57 g/mol
Exact Mass348.95
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1F)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C13H8BrClF3N/c14-9-5-12(18)8(4-10(9)15)13(19)7-2-1-6(16)3-11(7)17/h1-5,13H,19H2
InChIKeyQBMCFJUKQBTISU-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.57
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
CID 105398594
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine
CID 105398676
(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 105398601
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107982138
(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301576
(4-bromo-5-chloro-2-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 105398505
(3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine
CID 63798437
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine
CID 105398463
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
(4-bromo-5-chloro-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 105398478

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine (CID 105398640) is (4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine is NC(c1ccc(F)cc1F)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine?
The InChIKey is QBMCFJUKQBTISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF3N/c14-9-5-12(18)8(4-10(9)15)13(19)7-2-1-6(16)3-11(7)17/h1-5,13H,19H2.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine?
(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine has a molecular weight of 350.57 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine is sourced from PubChem (CID 105398640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).