1-[3-(trifluoromethyl)anilino]butan-2-ol

C11H14F3NO — CID 14072196

IUPAC1-[3-(trifluoromethyl)anilino]butan-2-ol
SMILESCCC(O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-2-10(16)7-15-9-5-3-4-8(6-9)11(12,13)14/h3-6,10,15-16H,2,7H2,1H3
InChIKeyORLWOQHTVJGAFM-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.89
Rot. Bonds4

About 1-[3-(trifluoromethyl)anilino]butan-2-ol

1-[3-(trifluoromethyl)anilino]butan-2-ol (PubChem CID 14072196) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)anilino]butan-2-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)anilino]butan-2-ol
PubChem CID14072196
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-[3-(trifluoromethyl)anilino]butan-2-ol
SMILESCCC(O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-2-10(16)7-15-9-5-3-4-8(6-9)11(12,13)14/h3-6,10,15-16H,2,7H2,1H3
InChIKeyORLWOQHTVJGAFM-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)anilino]butan-2-ol?
The IUPAC name of 1-[3-(trifluoromethyl)anilino]butan-2-ol (CID 14072196) is 1-[3-(trifluoromethyl)anilino]butan-2-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)anilino]butan-2-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)anilino]butan-2-ol is CCC(O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)anilino]butan-2-ol?
The InChIKey is ORLWOQHTVJGAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-10(16)7-15-9-5-3-4-8(6-9)11(12,13)14/h3-6,10,15-16H,2,7H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)anilino]butan-2-ol?
1-[3-(trifluoromethyl)anilino]butan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)anilino]butan-2-ol is sourced from PubChem (CID 14072196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).