1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine

C8H6BrF4N — CID 51358639

IUPAC1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
SMILESNC(c1ccc(F)cc1Br)C(F)(F)F
InChIInChI=1S/C8H6BrF4N/c9-6-3-4(10)1-2-5(6)7(14)8(11,12)13/h1-3,7H,14H2
InChIKeyGQQLAXSHKHMOAZ-UHFFFAOYSA-N
MW272.04 g/mol
LogP3.15
Rot. Bonds1

About 1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine

1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine (PubChem CID 51358639) has the molecular formula C8H6BrF4N and a molecular weight of 272.04 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
PubChem CID51358639
Molecular FormulaC8H6BrF4N
Molecular Weight272.04 g/mol
Exact Mass270.96
IUPAC Name1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
SMILESNC(c1ccc(F)cc1Br)C(F)(F)F
InChIInChI=1S/C8H6BrF4N/c9-6-3-4(10)1-2-5(6)7(14)8(11,12)13/h1-3,7H,14H2
InChIKeyGQQLAXSHKHMOAZ-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.04
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromo-4-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312209
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-fluorophenol
CID 66511072
(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine
CID 66512623
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine
CID 66511138
(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine
CID 56971906
(1S)-1-(2-bromo-4,5-difluorophenyl)-2,2,2-trifluoroethanamine
CID 66511938
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242667
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
ethyl (3S)-3-amino-3-(2-bromo-4-fluorophenyl)-2,2-difluoropropanoate
CID 171246734
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171247942
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine (CID 51358639) is 1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine is NC(c1ccc(F)cc1Br)C(F)(F)F.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine?
The InChIKey is GQQLAXSHKHMOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF4N/c9-6-3-4(10)1-2-5(6)7(14)8(11,12)13/h1-3,7H,14H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine?
1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine has a molecular weight of 272.04 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 51358639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).