3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide

C12H10F3NO — CID 142796145

IUPAC3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1cccc(C2=CCC2)c1C(F)(F)F
InChIInChI=1S/C12H10F3NO/c13-12(14,15)10-8(7-3-1-4-7)5-2-6-9(10)11(16)17/h2-3,5-6H,1,4H2,(H2,16,17)
InChIKeyRPTMPIBWGGAVAQ-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.98
Rot. Bonds2

About 3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide

3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide (PubChem CID 142796145) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide
PubChem CID142796145
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1cccc(C2=CCC2)c1C(F)(F)F
InChIInChI=1S/C12H10F3NO/c13-12(14,15)10-8(7-3-1-4-7)5-2-6-9(10)11(16)17/h2-3,5-6H,1,4H2,(H2,16,17)
InChIKeyRPTMPIBWGGAVAQ-UHFFFAOYSA-N
XLogP2.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2-(trifluoromethyl)benzamide
CID 2774778
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452
3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide
CID 174876774
3-ethenyl-2-(trifluoromethyl)benzamide
CID 142796144
3-nitro-2-(trifluoromethyl)benzamide
CID 131870243
2-hydroxy-3-(trifluoromethyl)benzamide;hydrochloride
CID 141021225
4-hydroxy-2,3-bis(trifluoromethyl)benzamide
CID 118854529
9H-fluorene-1,8-dicarboxamide
CID 21019291
2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 69461429
2-chloro-3-(trifluoromethyl)benzamide
CID 3861109
2-tert-butyl-3-fluorobenzamide
CID 118328410
2-(4,4-dimethylcyclohexen-1-yl)benzamide
CID 68507659

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide (CID 142796145) is 3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide is NC(=O)c1cccc(C2=CCC2)c1C(F)(F)F.
What is the InChIKey of 3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is RPTMPIBWGGAVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-12(14,15)10-8(7-3-1-4-7)5-2-6-9(10)11(16)17/h2-3,5-6H,1,4H2,(H2,16,17).
What are the key properties of 3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide?
3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 241.21 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 142796145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).