1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine

C9H8Br2F3N — CID 103846559

IUPAC1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1ccc(Br)c(Br)c1
InChIInChI=1S/C9H8Br2F3N/c10-6-2-1-5(3-7(6)11)8(15)4-9(12,13)14/h1-3,8H,4,15H2
InChIKeyYXBDYZOSKLIADB-UHFFFAOYSA-N
MW346.97 g/mol
LogP4.16
Rot. Bonds2

About 1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine

1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103846559) has the molecular formula C9H8Br2F3N and a molecular weight of 346.97 g/mol. Its IUPAC name is 1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103846559
Molecular FormulaC9H8Br2F3N
Molecular Weight346.97 g/mol
Exact Mass344.90
IUPAC Name1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1ccc(Br)c(Br)c1
InChIInChI=1S/C9H8Br2F3N/c10-6-2-1-5(3-7(6)11)8(15)4-9(12,13)14/h1-3,8H,4,15H2
InChIKeyYXBDYZOSKLIADB-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.97
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2,6-dibromophenol;hydrochloride
CID 171219523
(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
2-amino-2-(3,4-dibromophenyl)ethanol
CID 77130608
(1S)-1-(3,4-dibromophenyl)butan-1-amine
CID 130739510
(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine
CID 130641493
(1R)-1-(3,4-dibromophenyl)butan-1-amine
CID 130673463
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484
(1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine
CID 104941070
(1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine
CID 171215462
(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602
(1S)-1-(3,4-dibromophenyl)but-3-en-1-amine
CID 130682495
4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride
CID 171198755

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine (CID 103846559) is 1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine is NC(CC(F)(F)F)c1ccc(Br)c(Br)c1.
What is the InChIKey of 1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is YXBDYZOSKLIADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2F3N/c10-6-2-1-5(3-7(6)11)8(15)4-9(12,13)14/h1-3,8H,4,15H2.
What are the key properties of 1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine?
1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 346.97 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103846559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).