N-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide

C9H7ClF3NO — CID 4136078

IUPACN-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1ccc(NC(=O)C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF3NO/c1-5-2-3-6(4-7(5)10)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyQAYBTXGTTUWWHN-UHFFFAOYSA-N
MW237.61 g/mol
LogP3.15
Rot. Bonds1

About N-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide

N-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 4136078) has the molecular formula C9H7ClF3NO and a molecular weight of 237.61 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide
PubChem CID4136078
Molecular FormulaC9H7ClF3NO
Molecular Weight237.61 g/mol
Exact Mass237.02
IUPAC NameN-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1ccc(NC(=O)C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF3NO/c1-5-2-3-6(4-7(5)10)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyQAYBTXGTTUWWHN-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide (CID 4136078) is N-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide is Cc1ccc(NC(=O)C(F)(F)F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is QAYBTXGTTUWWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO/c1-5-2-3-6(4-7(5)10)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15).
What are the key properties of N-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide?
N-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 237.61 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 4136078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).