[4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone

C15H10F5NO2 — CID 91742966

IUPAC[4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESCN(C)c1ccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)c(O)c1
InChIInChI=1S/C15H10F5NO2/c1-21(2)6-3-4-7(8(22)5-6)15(23)9-10(16)12(18)14(20)13(19)11(9)17/h3-5,22H,1-2H3
InChIKeyLVECKPTZYHSRSS-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.38
Rot. Bonds3

About [4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone

[4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone (PubChem CID 91742966) has the molecular formula C15H10F5NO2 and a molecular weight of 331.24 g/mol. Its IUPAC name is [4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone
PubChem CID91742966
Molecular FormulaC15H10F5NO2
Molecular Weight331.24 g/mol
Exact Mass331.06
IUPAC Name[4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESCN(C)c1ccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)c(O)c1
InChIInChI=1S/C15H10F5NO2/c1-21(2)6-3-4-7(8(22)5-6)15(23)9-10(16)12(18)14(20)13(19)11(9)17/h3-5,22H,1-2H3
InChIKeyLVECKPTZYHSRSS-UHFFFAOYSA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid
CID 79878
4-(Diethylamino)-2-hydroxybenzaldehyde
CID 87293
1-Hydroxy-10-methyl-9(10H)-acridinone
CID 5376484
2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid
CID 1910825
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
Methanone, (2,4-dihydroxyphenyl)[4-(dimethylamino)phenyl]-
CID 825840
3-(4-(Dimethylamino)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 5331296
4-(Dimethylamino)salicylic acid
CID 89978
2-Hydroxy-4-morpholin-4-yl-benzaldehyde
CID 9815659

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone?
The IUPAC name of [4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone (CID 91742966) is [4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone.
What is the SMILES notation for [4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone?
The canonical SMILES for [4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone is CN(C)c1ccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)c(O)c1.
What is the InChIKey of [4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone?
The InChIKey is LVECKPTZYHSRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5NO2/c1-21(2)6-3-4-7(8(22)5-6)15(23)9-10(16)12(18)14(20)13(19)11(9)17/h3-5,22H,1-2H3.
What are the key properties of [4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone?
[4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone has a molecular weight of 331.24 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-hydroxyphenyl]-(2,3,4,5,6-pentafluorophenyl)methanone is sourced from PubChem (CID 91742966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).