5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline

C10H11BrF3NO — CID 64554999

IUPAC5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline
SMILESCOc1ccc(Br)cc1NCCC(F)(F)F
InChIInChI=1S/C10H11BrF3NO/c1-16-9-3-2-7(11)6-8(9)15-5-4-10(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyQIAORLTVINWICV-UHFFFAOYSA-N
MW298.10 g/mol
LogP3.82
Rot. Bonds4

About 5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline

5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline (PubChem CID 64554999) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline
PubChem CID64554999
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline
SMILESCOc1ccc(Br)cc1NCCC(F)(F)F
InChIInChI=1S/C10H11BrF3NO/c1-16-9-3-2-7(11)6-8(9)15-5-4-10(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyQIAORLTVINWICV-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline?
The IUPAC name of 5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline (CID 64554999) is 5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline.
What is the SMILES notation for 5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline?
The canonical SMILES for 5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline is COc1ccc(Br)cc1NCCC(F)(F)F.
What is the InChIKey of 5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline?
The InChIKey is QIAORLTVINWICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c1-16-9-3-2-7(11)6-8(9)15-5-4-10(12,13)14/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline?
5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline has a molecular weight of 298.10 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline is sourced from PubChem (CID 64554999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).