N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C10H10F3NO — CID 23132710

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-7(15)14-6-8-2-4-9(5-3-8)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyJBFAQRBRZBMFKY-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.34
Rot. Bonds2

About N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 23132710) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID23132710
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-7(15)14-6-8-2-4-9(5-3-8)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyJBFAQRBRZBMFKY-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 23132710) is N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is JBFAQRBRZBMFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-7(15)14-6-8-2-4-9(5-3-8)10(11,12)13/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 217.19 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 23132710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).