4-propan-2-yloxy-3-(trifluoromethyl)aniline

C10H12F3NO — CID 12876625

IUPAC4-propan-2-yloxy-3-(trifluoromethyl)aniline
SMILESCC(C)Oc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-6(2)15-9-4-3-7(14)5-8(9)10(11,12)13/h3-6H,14H2,1-2H3
InChIKeySQZVIBGPQPZUCA-UHFFFAOYSA-N
MW219.21 g/mol
LogP3.07
Rot. Bonds2

About 4-propan-2-yloxy-3-(trifluoromethyl)aniline

4-propan-2-yloxy-3-(trifluoromethyl)aniline (PubChem CID 12876625) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 4-propan-2-yloxy-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-propan-2-yloxy-3-(trifluoromethyl)aniline
PubChem CID12876625
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name4-propan-2-yloxy-3-(trifluoromethyl)aniline
SMILESCC(C)Oc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-6(2)15-9-4-3-7(14)5-8(9)10(11,12)13/h3-6H,14H2,1-2H3
InChIKeySQZVIBGPQPZUCA-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-3-(trifluoromethyl)aniline?
The IUPAC name of 4-propan-2-yloxy-3-(trifluoromethyl)aniline (CID 12876625) is 4-propan-2-yloxy-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-propan-2-yloxy-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-propan-2-yloxy-3-(trifluoromethyl)aniline is CC(C)Oc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 4-propan-2-yloxy-3-(trifluoromethyl)aniline?
The InChIKey is SQZVIBGPQPZUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(2)15-9-4-3-7(14)5-8(9)10(11,12)13/h3-6H,14H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-3-(trifluoromethyl)aniline?
4-propan-2-yloxy-3-(trifluoromethyl)aniline has a molecular weight of 219.21 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-3-(trifluoromethyl)aniline is sourced from PubChem (CID 12876625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).