N-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide

C11H10F3NO2 — CID 102367001

IUPACN-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)CC(F)(F)F)c1
InChIInChI=1S/C11H10F3NO2/c1-7(16)15-9-4-2-3-8(5-9)10(17)6-11(12,13)14/h2-5H,6H2,1H3,(H,15,16)
InChIKeyRZSTVBKDXLIZSV-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.78
Rot. Bonds3

About N-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide

N-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide (PubChem CID 102367001) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is N-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide
PubChem CID102367001
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC NameN-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)CC(F)(F)F)c1
InChIInChI=1S/C11H10F3NO2/c1-7(16)15-9-4-2-3-8(5-9)10(17)6-11(12,13)14/h2-5H,6H2,1H3,(H,15,16)
InChIKeyRZSTVBKDXLIZSV-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide?
The IUPAC name of N-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide (CID 102367001) is N-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide?
The canonical SMILES for N-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)CC(F)(F)F)c1.
What is the InChIKey of N-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide?
The InChIKey is RZSTVBKDXLIZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-7(16)15-9-4-2-3-8(5-9)10(17)6-11(12,13)14/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of N-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide?
N-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide has a molecular weight of 245.20 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide is sourced from PubChem (CID 102367001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).