2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide

C10H10F3NO2 — CID 15852209

IUPAC2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
SMILESO=C(NCc1ccc(CO)cc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)9(16)14-5-7-1-3-8(6-15)4-2-7/h1-4,15H,5-6H2,(H,14,16)
InChIKeyBRPKWGMIAIWOJL-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.36
Rot. Bonds3

About 2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide

2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide (PubChem CID 15852209) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
PubChem CID15852209
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
SMILESO=C(NCc1ccc(CO)cc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)9(16)14-5-7-1-3-8(6-15)4-2-7/h1-4,15H,5-6H2,(H,14,16)
InChIKeyBRPKWGMIAIWOJL-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl [4-(hydroxymethyl)benzyl]carbamate
CID 2794813
2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 22769513
3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 51082979
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pent-4-enamide
CID 56765421
2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946
[4-(Aminomethyl)-2-fluorophenyl]methanol
CID 43165042
tert-butyl N-{[3-fluoro-4-(hydroxymethyl)phenyl]methyl}carbamate
CID 68220004
tert-butyl N-{[2-fluoro-4-(hydroxymethyl)phenyl]methyl}carbamate
CID 68220064
[4-(Aminomethyl)-3-fluorophenyl]methanol
CID 68453663
N-(1,3-dihydroxy-1-phenylpropan-2-yl)-2,2,2-trifluoroacetamide
CID 20374861
2-fluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 10932396
N-[(1S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
CID 135046209

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide (CID 15852209) is 2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide is O=C(NCc1ccc(CO)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide?
The InChIKey is BRPKWGMIAIWOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)9(16)14-5-7-1-3-8(6-15)4-2-7/h1-4,15H,5-6H2,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide?
2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide has a molecular weight of 233.19 g/mol, XLogP of 1.36, 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-(hydroxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 15852209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).