4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline

C10H11BrF3N — CID 43228566

IUPAC4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline
SMILESCC(C)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H11BrF3N/c1-6(2)15-7-3-4-9(11)8(5-7)10(12,13)14/h3-6,15H,1-2H3
InChIKeyMPXVOQUZHKHZDV-UHFFFAOYSA-N
MW282.10 g/mol
LogP4.29
Rot. Bonds2

About 4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline

4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline (PubChem CID 43228566) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline
PubChem CID43228566
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline
SMILESCC(C)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H11BrF3N/c1-6(2)15-7-3-4-9(11)8(5-7)10(12,13)14/h3-6,15H,1-2H3
InChIKeyMPXVOQUZHKHZDV-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline (CID 43228566) is 4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline is CC(C)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline?
The InChIKey is MPXVOQUZHKHZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-6(2)15-7-3-4-9(11)8(5-7)10(12,13)14/h3-6,15H,1-2H3.
What are the key properties of 4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline?
4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline has a molecular weight of 282.10 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-propan-2-yl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43228566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).