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

C10H10F3NO2 — CID 102219826

IUPAC1-[4-(dimethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone
SMILESCN(C)c1ccc(C(=O)C(F)(F)F)c(O)c1
InChIInChI=1S/C10H10F3NO2/c1-14(2)6-3-4-7(8(15)5-6)9(16)10(11,12)13/h3-5,15H,1-2H3
InChIKeyBRPFZQVOCMTLKO-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.20
Rot. Bonds2

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

1-[4-(dimethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone (PubChem CID 102219826) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone
PubChem CID102219826
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name1-[4-(dimethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone
SMILESCN(C)c1ccc(C(=O)C(F)(F)F)c(O)c1
InChIInChI=1S/C10H10F3NO2/c1-14(2)6-3-4-7(8(15)5-6)9(16)10(11,12)13/h3-5,15H,1-2H3
InChIKeyBRPFZQVOCMTLKO-UHFFFAOYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid
CID 79878
4-(Diethylamino)-2-hydroxybenzaldehyde
CID 87293
2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid
CID 1910825
4-Acetamidosalicylic acid
CID 65509
1-(2-Hydroxy-4-morpholin-4-ylphenyl)ethanone
CID 9859309
4-(Dimethylamino)-2-hydroxybenzaldehyde
CID 9815305
2-(4-Dimethylamino-2-hydroxy-benzoyl)-benzoic acid
CID 655619
DNA-PK inhibitor V
CID 16760391
3-(4-(Dimethylamino)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 5331296
4-(Dimethylamino)salicylic acid
CID 89978
4-(Dimethylamino)-2-methoxybenzaldehyde
CID 291350
2-Hydroxy-4-morpholin-4-yl-benzaldehyde
CID 9815659

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(dimethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone (CID 102219826) is 1-[4-(dimethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone is CN(C)c1ccc(C(=O)C(F)(F)F)c(O)c1.
What is the InChIKey of 1-[4-(dimethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone?
The InChIKey is BRPFZQVOCMTLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-14(2)6-3-4-7(8(15)5-6)9(16)10(11,12)13/h3-5,15H,1-2H3.
What are the key properties of 1-[4-(dimethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone?
1-[4-(dimethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone has a molecular weight of 233.19 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-hydroxyphenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 102219826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).