1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol

C10H11BrF3NO — CID 60885804

IUPAC1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol
SMILESCC(O)CNc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H11BrF3NO/c1-6(16)5-15-9-3-2-7(11)4-8(9)10(12,13)14/h2-4,6,15-16H,5H2,1H3
InChIKeyPKBFDCDEMVHEQY-UHFFFAOYSA-N
MW298.10 g/mol
LogP3.26
Rot. Bonds3

About 1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol

1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 60885804) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol
PubChem CID60885804
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol
SMILESCC(O)CNc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H11BrF3NO/c1-6(16)5-15-9-3-2-7(11)4-8(9)10(12,13)14/h2-4,6,15-16H,5H2,1H3
InChIKeyPKBFDCDEMVHEQY-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol (CID 60885804) is 1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol is CC(O)CNc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is PKBFDCDEMVHEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c1-6(16)5-15-9-3-2-7(11)4-8(9)10(12,13)14/h2-4,6,15-16H,5H2,1H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol?
1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 298.10 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 60885804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).