2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone

C11H9F3O — CID 45081115

IUPAC2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone
SMILESO=C([C@@H]1C[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H9F3O/c12-11(13,14)10(15)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+/m0/s1
InChIKeyASURONWLLYKIOZ-DTWKUNHWSA-N
MW214.19 g/mol
LogP2.92
Rot. Bonds2

About 2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone

2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone (PubChem CID 45081115) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone
PubChem CID45081115
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone
SMILESO=C([C@@H]1C[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H9F3O/c12-11(13,14)10(15)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+/m0/s1
InChIKeyASURONWLLYKIOZ-DTWKUNHWSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
2-methyl-2-phenyl-1-(2-phenylcyclopropyl)propan-1-one
CID 116517019
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 92859467
2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one
CID 116517097
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
(4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone
CID 106876685
(2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784849
[(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene
CID 101094176

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone (CID 45081115) is 2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone is O=C([C@@H]1C[C@H]1c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone?
The InChIKey is ASURONWLLYKIOZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H9F3O/c12-11(13,14)10(15)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone?
2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone has a molecular weight of 214.19 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone is sourced from PubChem (CID 45081115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).