3-fluoro-2-(trifluoromethyl)benzamide

C8H5F4NO — CID 2774778

IUPAC3-fluoro-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C8H5F4NO/c9-5-3-1-2-4(7(13)14)6(5)8(10,11)12/h1-3H,(H2,13,14)
InChIKeyJEHSVMLIHCECTD-UHFFFAOYSA-N
MW207.13 g/mol
LogP1.94
Rot. Bonds1

About 3-fluoro-2-(trifluoromethyl)benzamide

3-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 2774778) has the molecular formula C8H5F4NO and a molecular weight of 207.13 g/mol. Its IUPAC name is 3-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(trifluoromethyl)benzamide
PubChem CID2774778
Molecular FormulaC8H5F4NO
Molecular Weight207.13 g/mol
Exact Mass207.03
IUPAC Name3-fluoro-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C8H5F4NO/c9-5-3-1-2-4(7(13)14)6(5)8(10,11)12/h1-3H,(H2,13,14)
InChIKeyJEHSVMLIHCECTD-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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Related Compounds

2-tert-butyl-3-fluorobenzamide
CID 118328410
2,2,2-trichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 146009003
3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide
CID 178112374
2,2,3,3,4,4,5,5,5-nonafluoro-1-[3-fluoro-2-(trifluoromethyl)phenyl]pentan-1-one
CID 146009000
2-amino-4-fluoro-3-(trifluoromethyl)benzamide
CID 118998970
3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide
CID 174876774
3-ethenyl-2-(trifluoromethyl)benzamide
CID 142796144
[2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate
CID 146009007
3-nitro-2-(trifluoromethyl)benzamide
CID 131870243
2-ethyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]butan-1-one
CID 146009023
2-fluorobenzamide;dihydrochloride
CID 22563899
3-fluoro-2,5-bis(trifluoromethyl)benzamide
CID 118998212

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-2-(trifluoromethyl)benzamide (CID 2774778) is 3-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-2-(trifluoromethyl)benzamide is NC(=O)c1cccc(F)c1C(F)(F)F.
What is the InChIKey of 3-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is JEHSVMLIHCECTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO/c9-5-3-1-2-4(7(13)14)6(5)8(10,11)12/h1-3H,(H2,13,14).
What are the key properties of 3-fluoro-2-(trifluoromethyl)benzamide?
3-fluoro-2-(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 3-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 2774778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).