N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine

C10H9BrF5N — CID 115407132

IUPACN-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H9BrF5N/c11-8-2-1-6(4-17-5-9(12)13)3-7(8)10(14,15)16/h1-3,9,17H,4-5H2
InChIKeyNHLASJAEQMQIOP-UHFFFAOYSA-N
MW318.08 g/mol
LogP3.82
Rot. Bonds4

About N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine

N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine (PubChem CID 115407132) has the molecular formula C10H9BrF5N and a molecular weight of 318.08 g/mol. Its IUPAC name is N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine
PubChem CID115407132
Molecular FormulaC10H9BrF5N
Molecular Weight318.08 g/mol
Exact Mass316.98
IUPAC NameN-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H9BrF5N/c11-8-2-1-6(4-17-5-9(12)13)3-7(8)10(14,15)16/h1-3,9,17H,4-5H2
InChIKeyNHLASJAEQMQIOP-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.08
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 113410128
N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine
CID 115406977
4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 165368885
4-bromo-N-[(3,4-difluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 43230401
N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline
CID 173173608
4-[[4-bromo-3-(trifluoromethyl)anilino]methyl]benzene-1,2-diol
CID 43680396
1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 103851384
N-[(4-tert-butylphenyl)methyl]-2,2-difluoroethanamine
CID 115405867
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 115405900
1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 78982782
4-bromo-N-[(3,5-difluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 105403156

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine (CID 115407132) is N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine is FC(F)CNCc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine?
The InChIKey is NHLASJAEQMQIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF5N/c11-8-2-1-6(4-17-5-9(12)13)3-7(8)10(14,15)16/h1-3,9,17H,4-5H2.
What are the key properties of N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine?
N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine has a molecular weight of 318.08 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115407132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).