2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide

C10H10F3NO — CID 140800245

IUPAC2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
SMILESC[C@H](c1ccccc1C(N)=O)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-6(10(11,12)13)7-4-2-3-5-8(7)9(14)15/h2-6H,1H3,(H2,14,15)/t6-/m1/s1
InChIKeyLLJPRYPIQOBFMC-ZCFIWIBFSA-N
MW217.19 g/mol
LogP2.45
Rot. Bonds2

About 2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide

2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide (PubChem CID 140800245) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide.

Molecular Properties

Compound Name2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
PubChem CID140800245
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
SMILESC[C@H](c1ccccc1C(N)=O)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-6(10(11,12)13)7-4-2-3-5-8(7)9(14)15/h2-6H,1H3,(H2,14,15)/t6-/m1/s1
InChIKeyLLJPRYPIQOBFMC-ZCFIWIBFSA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide?
The IUPAC name of 2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide (CID 140800245) is 2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide.
What is the SMILES notation for 2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide?
The canonical SMILES for 2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide is C[C@H](c1ccccc1C(N)=O)C(F)(F)F.
What is the InChIKey of 2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide?
The InChIKey is LLJPRYPIQOBFMC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6(10(11,12)13)7-4-2-3-5-8(7)9(14)15/h2-6H,1H3,(H2,14,15)/t6-/m1/s1.
What are the key properties of 2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide?
2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide has a molecular weight of 217.19 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide is sourced from PubChem (CID 140800245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).