(3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine

C13H8BrF4N — CID 106942443

IUPAC(3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1F)c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H8BrF4N/c14-8-3-4-9(16)11(12(8)18)13(19)7-2-1-6(15)5-10(7)17/h1-5,13H,19H2
InChIKeyJBXUKOUZJOYCSQ-UHFFFAOYSA-N
MW334.11 g/mol
LogP4.05
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine

(3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine (PubChem CID 106942443) has the molecular formula C13H8BrF4N and a molecular weight of 334.11 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine
PubChem CID106942443
Molecular FormulaC13H8BrF4N
Molecular Weight334.11 g/mol
Exact Mass332.98
IUPAC Name(3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1F)c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H8BrF4N/c14-8-3-4-9(16)11(12(8)18)13(19)7-2-1-6(15)5-10(7)17/h1-5,13H,19H2
InChIKeyJBXUKOUZJOYCSQ-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_1', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2,6-difluorophenyl)-(4-fluorophenyl)methanamine
CID 106942181
[(3-bromo-2,6-difluorophenyl)-(2-bromo-4-fluorophenyl)methyl]hydrazine
CID 106945532
(3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 106943162
(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105398640
(3-bromo-2,6-difluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 106944890
(3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine
CID 63798437
(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 114886653
(5-bromofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 43464215
(2,4-difluorophenyl)methanediamine
CID 116939170
(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171248107
1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 106942434
(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301576

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine (CID 106942443) is (3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine is NC(c1ccc(F)cc1F)c1c(F)ccc(Br)c1F.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine?
The InChIKey is JBXUKOUZJOYCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF4N/c14-8-3-4-9(16)11(12(8)18)13(19)7-2-1-6(15)5-10(7)17/h1-5,13H,19H2.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine?
(3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)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-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine is sourced from PubChem (CID 106942443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).