2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride

C9H10BrCl2F2N — CID 167739763

IUPAC2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride
SMILESCNCC(F)(F)c1ccc(Cl)c(Br)c1.Cl
InChIInChI=1S/C9H9BrClF2N.ClH/c1-14-5-9(12,13)6-2-3-8(11)7(10)4-6;/h2-4,14H,5H2,1H3;1H
InChIKeyQEXJFPRGZUWRBO-UHFFFAOYSA-N
MW320.99 g/mol
LogP3.84
Rot. Bonds3

About 2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride

2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride (PubChem CID 167739763) has the molecular formula C9H10BrCl2F2N and a molecular weight of 320.99 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride
PubChem CID167739763
Molecular FormulaC9H10BrCl2F2N
Molecular Weight320.99 g/mol
Exact Mass318.93
IUPAC Name2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride
SMILESCNCC(F)(F)c1ccc(Cl)c(Br)c1.Cl
InChIInChI=1S/C9H9BrClF2N.ClH/c1-14-5-9(12,13)6-2-3-8(11)7(10)4-6;/h2-4,14H,5H2,1H3;1H
InChIKeyQEXJFPRGZUWRBO-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.99
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-fluorophenyl)-2,2-difluoro-N-methylethanamine
CID 105424473
2-(4-tert-butyl-3-chlorophenyl)-2,2-difluoro-N-methylethanamine
CID 105424776
2-(3-bromo-4-propan-2-ylsulfanylphenyl)-2,2-difluoro-N-methylethanamine
CID 105424622
N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine
CID 83108581
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-1-amine
CID 83108459
2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid
CID 83745278
2-(3-ethylsulfanylphenyl)-2,2-difluoro-N-methylethanamine
CID 105425622
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 131739278
N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide
CID 166376489
(3S)-3-amino-3-(3-bromo-4-chlorophenyl)butan-1-ol
CID 131215490
N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 83232273

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride (CID 167739763) is 2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride is CNCC(F)(F)c1ccc(Cl)c(Br)c1.Cl.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride?
The InChIKey is QEXJFPRGZUWRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClF2N.ClH/c1-14-5-9(12,13)6-2-3-8(11)7(10)4-6;/h2-4,14H,5H2,1H3;1H.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride?
2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride has a molecular weight of 320.99 g/mol, XLogP of 3.84, 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-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride is sourced from PubChem (CID 167739763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).