2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine

C8H8BrClFN — CID 57445061

IUPAC2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine
SMILESNCC(F)c1ccc(Cl)cc1Br
InChIInChI=1S/C8H8BrClFN/c9-7-3-5(10)1-2-6(7)8(11)4-12/h1-3,8H,4,12H2
InChIKeyNTPSOKLGDPWJPE-UHFFFAOYSA-N
MW252.51 g/mol
LogP3.07
Rot. Bonds2

About 2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine

2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine (PubChem CID 57445061) has the molecular formula C8H8BrClFN and a molecular weight of 252.51 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine
PubChem CID57445061
Molecular FormulaC8H8BrClFN
Molecular Weight252.51 g/mol
Exact Mass250.95
IUPAC Name2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine
SMILESNCC(F)c1ccc(Cl)cc1Br
InChIInChI=1S/C8H8BrClFN/c9-7-3-5(10)1-2-6(7)8(11)4-12/h1-3,8H,4,12H2
InChIKeyNTPSOKLGDPWJPE-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-Bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 71756730
(2-Bromo-4-chlorophenyl)methanamine hydrochloride
CID 127264608
2-(4-Bromo-2-chlorophenyl)-2,2-difluoroethan-1-amine hydrochloride
CID 134690956
2-(2-Bromo-5-chlorophenyl)ethan-1-amine
CID 66160453
2-(2-Bromo-4-chlorophenyl)ethan-1-amine hydrochloride
CID 132354128
(1R)-1-(2-bromo-4-chlorophenyl)ethan-1-amine hydrochloride
CID 139022361
(1S)-1-(2-bromo-4-chlorophenyl)ethan-1-amine hydrochloride
CID 139022363
[(2-Bromo-4-chlorophenyl)methyl](methyl)amine hydrochloride
CID 165946160
2-(2-Bromophenyl)-2-fluoroethan-1-amine hydrochloride
CID 177797979
2-(2-Bromo-4-chlorophenyl)-2-fluoroacetonitrile
CID 57445060
(2-Bromo-4-chlorophenyl)methanamine
CID 57794106
2-(2-Bromo-4-chlorophenyl)ethanamine
CID 58244638

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine?
The IUPAC name of 2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine (CID 57445061) is 2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine.
What is the SMILES notation for 2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine?
The canonical SMILES for 2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine is NCC(F)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine?
The InChIKey is NTPSOKLGDPWJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFN/c9-7-3-5(10)1-2-6(7)8(11)4-12/h1-3,8H,4,12H2.
What are the key properties of 2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine?
2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine has a molecular weight of 252.51 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenyl)-2-fluoroethanamine is sourced from PubChem (CID 57445061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).