2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide

C14H10F3NO2 — CID 140578779

IUPAC2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide
SMILESNC(=O)c1c(CC(=O)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)11(19)7-9-6-5-8-3-1-2-4-10(8)12(9)13(18)20/h1-6H,7H2,(H2,18,20)
InChIKeyAZQOTYQWTRKJAV-UHFFFAOYSA-N
MW281.23 g/mol
LogP2.61
Rot. Bonds3

About 2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide

2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide (PubChem CID 140578779) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide
PubChem CID140578779
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide
SMILESNC(=O)c1c(CC(=O)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)11(19)7-9-6-5-8-3-1-2-4-10(8)12(9)13(18)20/h1-6H,7H2,(H2,18,20)
InChIKeyAZQOTYQWTRKJAV-UHFFFAOYSA-N
XLogP2.61
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide?
The IUPAC name of 2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide (CID 140578779) is 2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide?
The canonical SMILES for 2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide is NC(=O)c1c(CC(=O)C(F)(F)F)ccc2ccccc12.
What is the InChIKey of 2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide?
The InChIKey is AZQOTYQWTRKJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)11(19)7-9-6-5-8-3-1-2-4-10(8)12(9)13(18)20/h1-6H,7H2,(H2,18,20).
What are the key properties of 2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide?
2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide has a molecular weight of 281.23 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 140578779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).