2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide

C14H16F3NO2 — CID 101155785

IUPAC2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide
SMILESCc1ccc(C2(O)CC(C)C2NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO2/c1-8-3-5-10(6-4-8)13(20)7-9(2)11(13)18-12(19)14(15,16)17/h3-6,9,11,20H,7H2,1-2H3,(H,18,19)
InChIKeyUPXCYHCJDFMCAO-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.27
Rot. Bonds2

About 2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide

2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide (PubChem CID 101155785) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide
PubChem CID101155785
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide
SMILESCc1ccc(C2(O)CC(C)C2NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO2/c1-8-3-5-10(6-4-8)13(20)7-9(2)11(13)18-12(19)14(15,16)17/h3-6,9,11,20H,7H2,1-2H3,(H,18,19)
InChIKeyUPXCYHCJDFMCAO-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 44532142
(1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 90683348
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide
CID 56764194
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pent-4-enamide
CID 56765421
(1R,2S)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 90683343
Benzene, 1-(1-hydroxy-2-isopropylamino)ethyl-4-trifluoromethyl-
CID 60903377
N-(2-hydroxy-2-phenylpropyl)acetamide
CID 11701184
N-(1,3-dihydroxy-1-phenylpropan-2-yl)-2,2,2-trifluoroacetamide
CID 20374861
2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide
CID 134893613
2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide
CID 134950061
2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide
CID 134950062
(2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol
CID 134960749

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide (CID 101155785) is 2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide is Cc1ccc(C2(O)CC(C)C2NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide?
The InChIKey is UPXCYHCJDFMCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-8-3-5-10(6-4-8)13(20)7-9(2)11(13)18-12(19)14(15,16)17/h3-6,9,11,20H,7H2,1-2H3,(H,18,19).
What are the key properties of 2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide?
2,2,2-trifluoro-N-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide has a molecular weight of 287.28 g/mol, XLogP of 2.27, 2 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-[2-hydroxy-4-methyl-2-(4-methylphenyl)cyclobutyl]acetamide is sourced from PubChem (CID 101155785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).