N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine

C11H11BrCl2F3N — CID 107488497

IUPACN-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CN(CCBr)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11BrCl2F3N/c12-3-4-18(7-11(15,16)17)6-8-5-9(13)1-2-10(8)14/h1-2,5H,3-4,6-7H2
InChIKeyMFBAYPAOMHFBTQ-UHFFFAOYSA-N
MW365.02 g/mol
LogP4.75
Rot. Bonds5

About N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine

N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 107488497) has the molecular formula C11H11BrCl2F3N and a molecular weight of 365.02 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine
PubChem CID107488497
Molecular FormulaC11H11BrCl2F3N
Molecular Weight365.02 g/mol
Exact Mass362.94
IUPAC NameN-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CN(CCBr)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11BrCl2F3N/c12-3-4-18(7-11(15,16)17)6-8-5-9(13)1-2-10(8)14/h1-2,5H,3-4,6-7H2
InChIKeyMFBAYPAOMHFBTQ-UHFFFAOYSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.02
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine (CID 107488497) is N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CN(CCBr)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is MFBAYPAOMHFBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2F3N/c12-3-4-18(7-11(15,16)17)6-8-5-9(13)1-2-10(8)14/h1-2,5H,3-4,6-7H2.
What are the key properties of N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine?
N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 365.02 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 107488497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).