2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

C11H10F3NO — CID 92859467

IUPAC2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)10(16)15-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,15,16)/t8-,9+/m0/s1
InChIKeyONHHCCWIZDGBTO-DTWKUNHWSA-N
MW229.20 g/mol
LogP2.22
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (PubChem CID 92859467) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
PubChem CID92859467
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)10(16)15-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,15,16)/t8-,9+/m0/s1
InChIKeyONHHCCWIZDGBTO-DTWKUNHWSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-methyl-N-(2-phenylcyclopropyl)propanamide;hydrochloride
CID 119281635
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide
CID 114290562
2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
CID 174715188
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate
CID 112617050
2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide
CID 114995959
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
2-methyl-3-oxo-3-[(2-phenylcyclopropyl)amino]propanoic acid
CID 114898248
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207
(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (CID 92859467) is 2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is O=C(N[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The InChIKey is ONHHCCWIZDGBTO-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)10(16)15-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,15,16)/t8-,9+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide has a molecular weight of 229.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 92859467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).