1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine

C11H10BrF6NO — CID 103394560

IUPAC1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
SMILESCNC(c1cc(Br)c(F)cc1OC)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10BrF6NO/c1-19-9(10(14,15)11(16,17)18)5-3-6(12)7(13)4-8(5)20-2/h3-4,9,19H,1-2H3
InChIKeyOMLDFPYMPJKRPG-UHFFFAOYSA-N
MW366.10 g/mol
LogP4.05
Rot. Bonds4

About 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine

1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine (PubChem CID 103394560) has the molecular formula C11H10BrF6NO and a molecular weight of 366.10 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
PubChem CID103394560
Molecular FormulaC11H10BrF6NO
Molecular Weight366.10 g/mol
Exact Mass364.98
IUPAC Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
SMILESCNC(c1cc(Br)c(F)cc1OC)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10BrF6NO/c1-19-9(10(14,15)11(16,17)18)5-3-6(12)7(13)4-8(5)20-2/h3-4,9,19H,1-2H3
InChIKeyOMLDFPYMPJKRPG-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine with MolForge

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Related Compounds

1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 60788133
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 103394303
1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43626707
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 103394558
1-bromo-5-(1-chloro-2,2,3,3-tetrafluoropropyl)-2-fluoro-4-methoxybenzene
CID 103396376
1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107951008
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 103394584
1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 103394525
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 103394612
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103394656
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 103394657
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 103394619

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine (CID 103394560) is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine is CNC(c1cc(Br)c(F)cc1OC)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The InChIKey is OMLDFPYMPJKRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF6NO/c1-19-9(10(14,15)11(16,17)18)5-3-6(12)7(13)4-8(5)20-2/h3-4,9,19H,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine has a molecular weight of 366.10 g/mol, XLogP of 4.05, 4 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)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine is sourced from PubChem (CID 103394560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).