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

C10H12F3N — CID 131512817

IUPAC3-propan-2-yl-4-(trifluoromethyl)aniline
SMILESCC(C)c1cc(N)ccc1C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-6(2)8-5-7(14)3-4-9(8)10(11,12)13/h3-6H,14H2,1-2H3
InChIKeyXUBUJCWINUQBDS-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.41
Rot. Bonds1

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

3-propan-2-yl-4-(trifluoromethyl)aniline (PubChem CID 131512817) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 3-propan-2-yl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-propan-2-yl-4-(trifluoromethyl)aniline
PubChem CID131512817
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name3-propan-2-yl-4-(trifluoromethyl)aniline
SMILESCC(C)c1cc(N)ccc1C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-6(2)8-5-7(14)3-4-9(8)10(11,12)13/h3-6H,14H2,1-2H3
InChIKeyXUBUJCWINUQBDS-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4-(trifluoromethyl)aniline?
The IUPAC name of 3-propan-2-yl-4-(trifluoromethyl)aniline (CID 131512817) is 3-propan-2-yl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 3-propan-2-yl-4-(trifluoromethyl)aniline?
The canonical SMILES for 3-propan-2-yl-4-(trifluoromethyl)aniline is CC(C)c1cc(N)ccc1C(F)(F)F.
What is the InChIKey of 3-propan-2-yl-4-(trifluoromethyl)aniline?
The InChIKey is XUBUJCWINUQBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6(2)8-5-7(14)3-4-9(8)10(11,12)13/h3-6H,14H2,1-2H3.
What are the key properties of 3-propan-2-yl-4-(trifluoromethyl)aniline?
3-propan-2-yl-4-(trifluoromethyl)aniline has a molecular weight of 203.21 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 131512817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).