2-(trifluoromethyl)naphthalene-1-carboxamide

C12H8F3NO — CID 23056913

IUPAC2-(trifluoromethyl)naphthalene-1-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C12H8F3NO/c13-12(14,15)9-6-5-7-3-1-2-4-8(7)10(9)11(16)17/h1-6H,(H2,16,17)
InChIKeyBTHAYDGAXLMAPR-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.96
Rot. Bonds1

About 2-(trifluoromethyl)naphthalene-1-carboxamide

2-(trifluoromethyl)naphthalene-1-carboxamide (PubChem CID 23056913) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-(trifluoromethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)naphthalene-1-carboxamide
PubChem CID23056913
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name2-(trifluoromethyl)naphthalene-1-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C12H8F3NO/c13-12(14,15)9-6-5-7-3-1-2-4-8(7)10(9)11(16)17/h1-6H,(H2,16,17)
InChIKeyBTHAYDGAXLMAPR-UHFFFAOYSA-N
XLogP2.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)naphthalene-1-carboxamide?
The IUPAC name of 2-(trifluoromethyl)naphthalene-1-carboxamide (CID 23056913) is 2-(trifluoromethyl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)naphthalene-1-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)naphthalene-1-carboxamide is NC(=O)c1c(C(F)(F)F)ccc2ccccc12.
What is the InChIKey of 2-(trifluoromethyl)naphthalene-1-carboxamide?
The InChIKey is BTHAYDGAXLMAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)9-6-5-7-3-1-2-4-8(7)10(9)11(16)17/h1-6H,(H2,16,17).
What are the key properties of 2-(trifluoromethyl)naphthalene-1-carboxamide?
2-(trifluoromethyl)naphthalene-1-carboxamide has a molecular weight of 239.20 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 23056913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).