1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone

C12H14F3NO2 — CID 10777805

IUPAC1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone
SMILESCCN(CC)c1ccc(C(=O)C(F)(F)F)c(O)c1
InChIInChI=1S/C12H14F3NO2/c1-3-16(4-2)8-5-6-9(10(17)7-8)11(18)12(13,14)15/h5-7,17H,3-4H2,1-2H3
InChIKeyOAVOCVYNBQRORC-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.98
Rot. Bonds4

About 1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone

1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone (PubChem CID 10777805) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone
PubChem CID10777805
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone
SMILESCCN(CC)c1ccc(C(=O)C(F)(F)F)c(O)c1
InChIInChI=1S/C12H14F3NO2/c1-3-16(4-2)8-5-6-9(10(17)7-8)11(18)12(13,14)15/h5-7,17H,3-4H2,1-2H3
InChIKeyOAVOCVYNBQRORC-UHFFFAOYSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone (CID 10777805) is 1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone is CCN(CC)c1ccc(C(=O)C(F)(F)F)c(O)c1.
What is the InChIKey of 1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone?
The InChIKey is OAVOCVYNBQRORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-3-16(4-2)8-5-6-9(10(17)7-8)11(18)12(13,14)15/h5-7,17H,3-4H2,1-2H3.
What are the key properties of 1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone?
1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone has a molecular weight of 261.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 10777805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).