2-fluoro-4-(trifluoromethyl)benzamide

C8H5F4NO — CID 605689

IUPAC2-fluoro-4-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C8H5F4NO/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H2,13,14)
InChIKeyBQNZIRSNAKWERJ-UHFFFAOYSA-N
MW207.13 g/mol
LogP1.94
Rot. Bonds1

About 2-fluoro-4-(trifluoromethyl)benzamide

2-fluoro-4-(trifluoromethyl)benzamide (PubChem CID 605689) has the molecular formula C8H5F4NO and a molecular weight of 207.13 g/mol. Its IUPAC name is 2-fluoro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-(trifluoromethyl)benzamide
PubChem CID605689
Molecular FormulaC8H5F4NO
Molecular Weight207.13 g/mol
Exact Mass207.03
IUPAC Name2-fluoro-4-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C8H5F4NO/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H2,13,14)
InChIKeyBQNZIRSNAKWERJ-UHFFFAOYSA-N
XLogP1.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.13
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-4-(trifluoromethyl)benzamide (CID 605689) is 2-fluoro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-4-(trifluoromethyl)benzamide is NC(=O)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-4-(trifluoromethyl)benzamide?
The InChIKey is BQNZIRSNAKWERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H2,13,14).
What are the key properties of 2-fluoro-4-(trifluoromethyl)benzamide?
2-fluoro-4-(trifluoromethyl)benzamide has a molecular weight of 207.13 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 605689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).