2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide

C12H12F4N2O2 — CID 80710497

IUPAC2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(NN1CCOCC1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H12F4N2O2/c13-10-2-1-8(12(14,15)16)7-9(10)11(19)17-18-3-5-20-6-4-18/h1-2,7H,3-6H2,(H,17,19)
InChIKeyWQWUEJZJOODNSP-UHFFFAOYSA-N
MW292.23 g/mol
LogP1.82
Rot. Bonds2

About 2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide

2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide (PubChem CID 80710497) has the molecular formula C12H12F4N2O2 and a molecular weight of 292.23 g/mol. Its IUPAC name is 2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide
PubChem CID80710497
Molecular FormulaC12H12F4N2O2
Molecular Weight292.23 g/mol
Exact Mass292.08
IUPAC Name2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(NN1CCOCC1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H12F4N2O2/c13-10-2-1-8(12(14,15)16)7-9(10)11(19)17-18-3-5-20-6-4-18/h1-2,7H,3-6H2,(H,17,19)
InChIKeyWQWUEJZJOODNSP-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide (CID 80710497) is 2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide is O=C(NN1CCOCC1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The InChIKey is WQWUEJZJOODNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O2/c13-10-2-1-8(12(14,15)16)7-9(10)11(19)17-18-3-5-20-6-4-18/h1-2,7H,3-6H2,(H,17,19).
What are the key properties of 2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide?
2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide has a molecular weight of 292.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 80710497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).