1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine

C9H8BrF4NO — CID 103394303

IUPAC1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
SMILESCOc1cc(F)c(Br)cc1C(N)C(F)(F)F
InChIInChI=1S/C9H8BrF4NO/c1-16-7-3-6(11)5(10)2-4(7)8(15)9(12,13)14/h2-3,8H,15H2,1H3
InChIKeyHLVLSQYIIYHQCH-UHFFFAOYSA-N
MW302.07 g/mol
LogP3.16
Rot. Bonds2

About 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine

1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine (PubChem CID 103394303) has the molecular formula C9H8BrF4NO and a molecular weight of 302.07 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
PubChem CID103394303
Molecular FormulaC9H8BrF4NO
Molecular Weight302.07 g/mol
Exact Mass300.97
IUPAC Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
SMILESCOc1cc(F)c(Br)cc1C(N)C(F)(F)F
InChIInChI=1S/C9H8BrF4NO/c1-16-7-3-6(11)5(10)2-4(7)8(15)9(12,13)14/h2-3,8H,15H2,1H3
InChIKeyHLVLSQYIIYHQCH-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 103394465
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 103394560
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001449
1-bromo-5-(1-chloro-2,2,3,3-tetrafluoropropyl)-2-fluoro-4-methoxybenzene
CID 103396376
1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine
CID 103394326
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 103394484
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 103394434
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107178298
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852
1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 65439545

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine (CID 103394303) is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine is COc1cc(F)c(Br)cc1C(N)C(F)(F)F.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine?
The InChIKey is HLVLSQYIIYHQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF4NO/c1-16-7-3-6(11)5(10)2-4(7)8(15)9(12,13)14/h2-3,8H,15H2,1H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine?
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine has a molecular weight of 302.07 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 103394303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).