2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide

C14H18F3NO2 — CID 10589500

IUPAC2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(NC(=O)C(F)(F)F)cc(C(C)C)c1O
InChIInChI=1S/C14H18F3NO2/c1-7(2)10-5-9(18-13(20)14(15,16)17)6-11(8(3)4)12(10)19/h5-8,19H,1-4H3,(H,18,20)
InChIKeyBTLZUTLQKYIVRA-UHFFFAOYSA-N
MW289.30 g/mol
LogP4.14
Rot. Bonds3

About 2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide

2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide (PubChem CID 10589500) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide
PubChem CID10589500
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(NC(=O)C(F)(F)F)cc(C(C)C)c1O
InChIInChI=1S/C14H18F3NO2/c1-7(2)10-5-9(18-13(20)14(15,16)17)6-11(8(3)4)12(10)19/h5-8,19H,1-4H3,(H,18,20)
InChIKeyBTLZUTLQKYIVRA-UHFFFAOYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Acetamido-2-methylphenol
CID 85384
N-(3,5-di-tert-butyl-4-hydroxyphenyl)acetamide
CID 884872
4-Acetamido-2-diethylaminomethylphenol
CID 224175
N-(4-Hydroxy-3,5-bis(1-methylethyl)phenyl)acetamide
CID 835028
N-(4-Hydroxy-3,5-dimethylphenyl)acetamide
CID 89896
N-(4-hydroxy-2-isopropyl-5-methylphenyl)-3-phenylacrylamide
CID 706322
N-(4-hydroxy-3,5-diisopropylphenyl)-2,2-dimethylpropanamide
CID 705477
N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzamide
CID 1548109
2,6-Dimethyl-4-p-tolylamino-phenol
CID 767399
N-(3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2-propenamide
CID 215005
m-Acetotoluidide, alpha-(dimethylamino)-4'-hydroxy-
CID 26321
N-(4-hydroxy-3,5-diisopropylphenyl)-4-methylbenzamide
CID 693427

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide (CID 10589500) is 2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide is CC(C)c1cc(NC(=O)C(F)(F)F)cc(C(C)C)c1O.
What is the InChIKey of 2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide?
The InChIKey is BTLZUTLQKYIVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-7(2)10-5-9(18-13(20)14(15,16)17)6-11(8(3)4)12(10)19/h5-8,19H,1-4H3,(H,18,20).
What are the key properties of 2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide has a molecular weight of 289.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 10589500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).