1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone

C12H11F3O — CID 93025354

IUPAC1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3O/c1-7(16)10-6-11(10)8-2-4-9(5-3-8)12(13,14)15/h2-5,10-11H,6H2,1H3/t10-,11-/m0/s1
InChIKeyFPALMPWCQWTJSW-QWRGUYRKSA-N
MW228.21 g/mol
LogP3.40
Rot. Bonds2

About 1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone

1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone (PubChem CID 93025354) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
PubChem CID93025354
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3O/c1-7(16)10-6-11(10)8-2-4-9(5-3-8)12(13,14)15/h2-5,10-11H,6H2,1H3/t10-,11-/m0/s1
InChIKeyFPALMPWCQWTJSW-QWRGUYRKSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone (CID 93025354) is 1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone is CC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone?
The InChIKey is FPALMPWCQWTJSW-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H11F3O/c1-7(16)10-6-11(10)8-2-4-9(5-3-8)12(13,14)15/h2-5,10-11H,6H2,1H3/t10-,11-/m0/s1.
What are the key properties of 1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone?
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone has a molecular weight of 228.21 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone is sourced from PubChem (CID 93025354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).