1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone

C12H11F3O2 — CID 62620228

IUPAC1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C12H11F3O2/c13-12(14,15)17-10-5-1-8(2-6-10)7-11(16)9-3-4-9/h1-2,5-6,9H,3-4,7H2
InChIKeyNLNWKQYUROAAMP-UHFFFAOYSA-N
MW244.21 g/mol
LogP3.11
Rot. Bonds4

About 1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone

1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 62620228) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID62620228
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C12H11F3O2/c13-12(14,15)17-10-5-1-8(2-6-10)7-11(16)9-3-4-9/h1-2,5-6,9H,3-4,7H2
InChIKeyNLNWKQYUROAAMP-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Anisylacetone
CID 61007
1-(p-Methoxyphenyl)-2-propanone
CID 31231
4-Methoxyphenylacetaldehyde
CID 79782
2-Methyl-3-(p-methoxyphenyl)propanal
CID 64813
p-Anisoylcyclopropane
CID 81580
Methyl 4-methoxyphenylacetate
CID 90266
2,4-Butanedione, 1,1,1-trifluoro-4-(4-methoxyphenyl)-
CID 139903
2,2,2-Trifluoro-4'-methoxyacetophenone
CID 136555
2-Butanone, 4-(4-methoxyphenyl)-3-methyl-
CID 97708
1,1,1-Trifluoro-8-(4-biphenylyloxy)-2-octanone
CID 44341053
p-Anisyl-p-benzoquinone
CID 121637
Ethyl 4-methoxyphenylacetate
CID 84174

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone (CID 62620228) is 1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone is O=C(Cc1ccc(OC(F)(F)F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is NLNWKQYUROAAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c13-12(14,15)17-10-5-1-8(2-6-10)7-11(16)9-3-4-9/h1-2,5-6,9H,3-4,7H2.
What are the key properties of 1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone?
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 244.21 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 62620228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).