(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine

C11H11BrF5NO2 — CID 171312687

IUPAC(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESCOc1cc([C@@H](N)C(F)(F)C(F)(F)F)c(OC)cc1Br
InChIInChI=1S/C11H11BrF5NO2/c1-19-7-4-6(12)8(20-2)3-5(7)9(18)10(13,14)11(15,16)17/h3-4,9H,18H2,1-2H3/t9-/m1/s1
InChIKeyNUZUECONEJLTLG-SECBINFHSA-N
MW364.11 g/mol
LogP3.66
Rot. Bonds4

About (1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine

(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 171312687) has the molecular formula C11H11BrF5NO2 and a molecular weight of 364.11 g/mol. Its IUPAC name is (1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
PubChem CID171312687
Molecular FormulaC11H11BrF5NO2
Molecular Weight364.11 g/mol
Exact Mass362.99
IUPAC Name(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESCOc1cc([C@@H](N)C(F)(F)C(F)(F)F)c(OC)cc1Br
InChIInChI=1S/C11H11BrF5NO2/c1-19-7-4-6(12)8(20-2)3-5(7)9(18)10(13,14)11(15,16)17/h3-4,9H,18H2,1-2H3/t9-/m1/s1
InChIKeyNUZUECONEJLTLG-SECBINFHSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.11
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311975
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 65439545
(3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171244525
2,2,3,3,3-pentafluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-amine
CID 62867617
(1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-amine
CID 171312665
(1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 171312588
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171214686
4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride
CID 171312191
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 103394303
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855
1-(4-bromo-2,5-dimethoxyphenyl)-3,3,3-trifluoropropan-1-ol
CID 105057029
1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene
CID 103514676

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of (1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine (CID 171312687) is (1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for (1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine is COc1cc([C@@H](N)C(F)(F)C(F)(F)F)c(OC)cc1Br.
What is the InChIKey of (1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
The InChIKey is NUZUECONEJLTLG-SECBINFHSA-N. The full InChI is InChI=1S/C11H11BrF5NO2/c1-19-7-4-6(12)8(20-2)3-5(7)9(18)10(13,14)11(15,16)17/h3-4,9H,18H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine has a molecular weight of 364.11 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 171312687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).