2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone

C18H14F4O2 — CID 158498158

IUPAC2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
SMILESO=C(Cc1cc(F)ccc1OC(F)(F)F)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C18H14F4O2/c19-13-6-7-17(24-18(20,21)22)12(8-13)9-16(23)15-10-14(15)11-4-2-1-3-5-11/h1-8,14-15H,9-10H2/t14-,15+/m1/s1
InChIKeyHJNYFTGXPFQPOE-CABCVRRESA-N
MW338.30 g/mol
LogP4.64
Rot. Bonds5

About 2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone

2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone (PubChem CID 158498158) has the molecular formula C18H14F4O2 and a molecular weight of 338.30 g/mol. Its IUPAC name is 2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone.

Molecular Properties

Compound Name2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
PubChem CID158498158
Molecular FormulaC18H14F4O2
Molecular Weight338.30 g/mol
Exact Mass338.09
IUPAC Name2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
SMILESO=C(Cc1cc(F)ccc1OC(F)(F)F)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C18H14F4O2/c19-13-6-7-17(24-18(20,21)22)12(8-13)9-16(23)15-10-14(15)11-4-2-1-3-5-11/h1-8,14-15H,9-10H2/t14-,15+/m1/s1
InChIKeyHJNYFTGXPFQPOE-CABCVRRESA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone?
The IUPAC name of 2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone (CID 158498158) is 2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone.
What is the SMILES notation for 2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone?
The canonical SMILES for 2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone is O=C(Cc1cc(F)ccc1OC(F)(F)F)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone?
The InChIKey is HJNYFTGXPFQPOE-CABCVRRESA-N. The full InChI is InChI=1S/C18H14F4O2/c19-13-6-7-17(24-18(20,21)22)12(8-13)9-16(23)15-10-14(15)11-4-2-1-3-5-11/h1-8,14-15H,9-10H2/t14-,15+/m1/s1.
What are the key properties of 2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone?
2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone has a molecular weight of 338.30 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(trifluoromethoxy)phenyl]-1-[(1S,2S)-2-phenylcyclopropyl]ethanone is sourced from PubChem (CID 158498158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).