imidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone

C8H7F3N2O — CID 121435422

IUPACimidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(n1ccnc1)C1(C(F)(F)F)CC1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7(1-2-7)6(14)13-4-3-12-5-13/h3-5H,1-2H2
InChIKeyIKGHYESLKAQGEG-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.87
Rot. Bonds1

About imidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone

imidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 121435422) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is imidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Nameimidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID121435422
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Nameimidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(n1ccnc1)C1(C(F)(F)F)CC1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7(1-2-7)6(14)13-4-3-12-5-13/h3-5H,1-2H2
InChIKeyIKGHYESLKAQGEG-UHFFFAOYSA-N
XLogP1.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(1-oxopropyl)-1H-imidazole
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1-(1H-Imidazol-1-yl)-2,2-dimethyl-1-propanone
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Cyclopropyl[4-(1-methyl-2-imidazolyl)-1-piperazinyl]methanone
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(3S)-N-ethyl-3-(2-methylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)butanamide
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[(1S,2S)-2-(difluoromethyl)cyclopropyl]-(2,3-dihydroimidazo[1,2-a]imidazol-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of imidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone (CID 121435422) is imidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for imidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for imidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone is O=C(n1ccnc1)C1(C(F)(F)F)CC1.
What is the InChIKey of imidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is IKGHYESLKAQGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)7(1-2-7)6(14)13-4-3-12-5-13/h3-5H,1-2H2.
What are the key properties of imidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
imidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 204.15 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 121435422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).