1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

C11H8BrF8N — CID 103309676

IUPAC1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(c1cc(F)c(Br)cc1F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8BrF8N/c1-21-8(9(10(15,16)17)11(18,19)20)4-2-7(14)5(12)3-6(4)13/h2-3,8-9,21H,1H3
InChIKeyFOUBZDYQZDEEKK-UHFFFAOYSA-N
MW386.08 g/mol
LogP4.73
Rot. Bonds3

About 1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103309676) has the molecular formula C11H8BrF8N and a molecular weight of 386.08 g/mol. Its IUPAC name is 1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103309676
Molecular FormulaC11H8BrF8N
Molecular Weight386.08 g/mol
Exact Mass384.97
IUPAC Name1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(c1cc(F)c(Br)cc1F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8BrF8N/c1-21-8(9(10(15,16)17)11(18,19)20)4-2-7(14)5(12)3-6(4)13/h2-3,8-9,21H,1H3
InChIKeyFOUBZDYQZDEEKK-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.08
LogP ≤ 54.73
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

1-(2-chloro-4,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 107476243
1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83154592
1-bromo-2,5-difluoro-4-propan-2-ylbenzene
CID 58333577
1-(4-bromo-2,5-difluorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207615
(1S)-1-(2-bromo-4,5-difluorophenyl)-N-methylethanamine
CID 131091332
1-bromo-4-[1-[1-(4-bromo-2,5-difluorophenyl)ethoxy]ethyl]-2,5-difluorobenzene
CID 175031707
1-(4-chloro-2,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309678
1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309625
1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine
CID 107950619
1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103311719
2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine
CID 103302248
1-(4-bromo-2,5-difluorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660900

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (CID 103309676) is 1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is CNC(c1cc(F)c(Br)cc1F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is FOUBZDYQZDEEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF8N/c1-21-8(9(10(15,16)17)11(18,19)20)4-2-7(14)5(12)3-6(4)13/h2-3,8-9,21H,1H3.
What are the key properties of 1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 386.08 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103309676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).