2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide

C12H12F3NO — CID 118962245

IUPAC2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide
SMILESNC(=O)C(c1ccccc1)[C@@H]1C[C@@H]1C(F)(F)F
InChIInChI=1S/C12H12F3NO/c13-12(14,15)9-6-8(9)10(11(16)17)7-4-2-1-3-5-7/h1-5,8-10H,6H2,(H2,16,17)/t8-,9+,10?/m1/s1
InChIKeyPPZXFYISKPCNBA-ZDGBYWQASA-N
MW243.23 g/mol
LogP2.45
Rot. Bonds3

About 2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide

2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 118962245) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID118962245
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide
SMILESNC(=O)C(c1ccccc1)[C@@H]1C[C@@H]1C(F)(F)F
InChIInChI=1S/C12H12F3NO/c13-12(14,15)9-6-8(9)10(11(16)17)7-4-2-1-3-5-7/h1-5,8-10H,6H2,(H2,16,17)/t8-,9+,10?/m1/s1
InChIKeyPPZXFYISKPCNBA-ZDGBYWQASA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R,3R)-2,3-difluoro-2-methyl-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of 2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide (CID 118962245) is 2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide is NC(=O)C(c1ccccc1)[C@@H]1C[C@@H]1C(F)(F)F.
What is the InChIKey of 2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is PPZXFYISKPCNBA-ZDGBYWQASA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)9-6-8(9)10(11(16)17)7-4-2-1-3-5-7/h1-5,8-10H,6H2,(H2,16,17)/t8-,9+,10?/m1/s1.
What are the key properties of 2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide?
2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 243.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 118962245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).