2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine

C9H9BrF3N — CID 105424473

IUPAC2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine
SMILESCNCC(F)(F)c1ccc(F)c(Br)c1
InChIInChI=1S/C9H9BrF3N/c1-14-5-9(12,13)6-2-3-8(11)7(10)4-6/h2-4,14H,5H2,1H3
InChIKeyHBMIBAAPPQNSQD-UHFFFAOYSA-N
MW268.08 g/mol
LogP2.90
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine

2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine (PubChem CID 105424473) has the molecular formula C9H9BrF3N and a molecular weight of 268.08 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine
PubChem CID105424473
Molecular FormulaC9H9BrF3N
Molecular Weight268.08 g/mol
Exact Mass266.99
IUPAC Name2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine
SMILESCNCC(F)(F)c1ccc(F)c(Br)c1
InChIInChI=1S/C9H9BrF3N/c1-14-5-9(12,13)6-2-3-8(11)7(10)4-6/h2-4,14H,5H2,1H3
InChIKeyHBMIBAAPPQNSQD-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride
CID 167739763
2-(3-bromo-4-propan-2-ylsulfanylphenyl)-2,2-difluoro-N-methylethanamine
CID 105424622
4-(3-bromo-4-fluorophenyl)-4,4-difluoro-2,2-dimethylbutanoic acid
CID 79737032
1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol
CID 107140564
2-(3-bromo-4-fluorophenyl)-2-(prop-2-ynylamino)propanoic acid
CID 55211983
2-[(3-bromo-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62723478
methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate
CID 105426665
2-(4-tert-butyl-3-chlorophenyl)-2,2-difluoro-N-methylethanamine
CID 105424776
2-bromo-4-(2,3-dimethylbut-3-en-2-yl)-1-fluorobenzene
CID 89044661
2-bromo-4-[1-[2-(3-bromo-4-fluorophenyl)-2-methylbutoxy]-2-methylbutan-2-yl]-1-fluorobenzene
CID 57278654
2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine
CID 105425622
2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
CID 62913164

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine (CID 105424473) is 2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine is CNCC(F)(F)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine?
The InChIKey is HBMIBAAPPQNSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N/c1-14-5-9(12,13)6-2-3-8(11)7(10)4-6/h2-4,14H,5H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine?
2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine has a molecular weight of 268.08 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 105424473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).