4-[3-(trifluoromethyl)diazirin-3-yl]benzamide

C9H6F3N3O — CID 67408070

IUPAC4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
SMILESNC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)8(14-15-8)6-3-1-5(2-4-6)7(13)16/h1-4H,(H2,13,16)
InChIKeyGVPHOBKSUXHPRY-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.97
Rot. Bonds2

About 4-[3-(trifluoromethyl)diazirin-3-yl]benzamide

4-[3-(trifluoromethyl)diazirin-3-yl]benzamide (PubChem CID 67408070) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)diazirin-3-yl]benzamide.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
PubChem CID67408070
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
SMILESNC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)8(14-15-8)6-3-1-5(2-4-6)7(13)16/h1-4H,(H2,13,16)
InChIKeyGVPHOBKSUXHPRY-UHFFFAOYSA-N
XLogP1.97
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Difluorobenzamide
CID 87439
2-Trifluoromethylbenzamide
CID 67759
4-Fluorobenzamide
CID 71572
4-Methylbenzamide
CID 69274
2-Fluorobenzamide
CID 67964
Terephthalamide
CID 76381
4-(Trifluoromethyl)benzamide
CID 74684
4-Benzylbenzamide
CID 21920336
3,4-Difluorobenzamide
CID 522832
3-Fluorobenzamide
CID 68000
4-Ethenylbenzamide
CID 285483
4-(Trifluoromethyl)benzohydrazide
CID 520662

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)diazirin-3-yl]benzamide?
The IUPAC name of 4-[3-(trifluoromethyl)diazirin-3-yl]benzamide (CID 67408070) is 4-[3-(trifluoromethyl)diazirin-3-yl]benzamide.
What is the SMILES notation for 4-[3-(trifluoromethyl)diazirin-3-yl]benzamide?
The canonical SMILES for 4-[3-(trifluoromethyl)diazirin-3-yl]benzamide is NC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1.
What is the InChIKey of 4-[3-(trifluoromethyl)diazirin-3-yl]benzamide?
The InChIKey is GVPHOBKSUXHPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)8(14-15-8)6-3-1-5(2-4-6)7(13)16/h1-4H,(H2,13,16).
What are the key properties of 4-[3-(trifluoromethyl)diazirin-3-yl]benzamide?
4-[3-(trifluoromethyl)diazirin-3-yl]benzamide has a molecular weight of 229.16 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)diazirin-3-yl]benzamide is sourced from PubChem (CID 67408070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).