3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide

C11H11F4NO2 — CID 156722490

IUPAC3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCNC(=O)c1cccc(F)c1OC(C)C(F)(F)F
InChIInChI=1S/C11H11F4NO2/c1-6(11(13,14)15)18-9-7(10(17)16-2)4-3-5-8(9)12/h3-6H,1-2H3,(H,16,17)
InChIKeyBQXHRZVKYRRDTC-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.51
Rot. Bonds3

About 3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide

3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide (PubChem CID 156722490) has the molecular formula C11H11F4NO2 and a molecular weight of 265.21 g/mol. Its IUPAC name is 3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
PubChem CID156722490
Molecular FormulaC11H11F4NO2
Molecular Weight265.21 g/mol
Exact Mass265.07
IUPAC Name3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCNC(=O)c1cccc(F)c1OC(C)C(F)(F)F
InChIInChI=1S/C11H11F4NO2/c1-6(11(13,14)15)18-9-7(10(17)16-2)4-3-5-8(9)12/h3-6H,1-2H3,(H,16,17)
InChIKeyBQXHRZVKYRRDTC-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid
CID 66276514
3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 156722435
4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 164522143
ethane;2-fluoro-N-methylbenzamide
CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
3-amino-N-methyl-2-propan-2-yloxybenzamide
CID 154814948
3-fluoro-N-methyl-2-sulfanylbenzamide
CID 175999607
1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine
CID 66277200
2-methoxy-N-methyl-3-methylsulfanylbenzamide
CID 69493076
4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 146483880
3-nitro-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid
CID 112576193
2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid
CID 69287496

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The IUPAC name of 3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide (CID 156722490) is 3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The canonical SMILES for 3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide is CNC(=O)c1cccc(F)c1OC(C)C(F)(F)F.
What is the InChIKey of 3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The InChIKey is BQXHRZVKYRRDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2/c1-6(11(13,14)15)18-9-7(10(17)16-2)4-3-5-8(9)12/h3-6H,1-2H3,(H,16,17).
What are the key properties of 3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide has a molecular weight of 265.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide is sourced from PubChem (CID 156722490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).