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

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Related Compounds

1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65329809
1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65330397
1-(1,1-dioxothiolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 115336214
1-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 171942829
1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 114968084
1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 171942839
2-oxo-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 16790000
1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone
CID 63355492
3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 59159515
1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CID 103543650
4-amino-4-cyclopropyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 116608648
1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CID 116558957

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).