1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone

C9H13F3O — CID 106797132

IUPAC1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone
SMILESCC(=O)C1(CCCC(F)(F)F)CC1
InChIInChI=1S/C9H13F3O/c1-7(13)8(5-6-8)3-2-4-9(10,11)12/h2-6H2,1H3
InChIKeyWCTNREVZRMEKOY-UHFFFAOYSA-N
MW194.20 g/mol
LogP3.09
Rot. Bonds4

About 1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone

1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone (PubChem CID 106797132) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone
PubChem CID106797132
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone
SMILESCC(=O)C1(CCCC(F)(F)F)CC1
InChIInChI=1S/C9H13F3O/c1-7(13)8(5-6-8)3-2-4-9(10,11)12/h2-6H2,1H3
InChIKeyWCTNREVZRMEKOY-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone
CID 123692304
1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid
CID 150208157
1-(1-octylcyclopropyl)ethanone
CID 22042371
4-propyl-1-(4,4,4-trifluorobutyl)cyclohexane-1-carboxylic acid
CID 113327536
4-butyl-1-(3,3,3-trifluoropropyl)cyclohexane-1-carboxylic acid
CID 79425349
CID 171575890
CID 171575890
1-[1-(2,2-difluoroethyl)cyclopropyl]ethanone
CID 106796985
8-[2-[5-(1-acetylcyclopropyl)pentyl]phenyl]-3,3-dimethyloctan-2-one
CID 164594994
1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-one
CID 115515912
1-[1-(2-propoxyethyl)cyclopropyl]ethanone
CID 106797086
3-(4,4,4-trifluorobutyl)azetidin-3-ol
CID 115515613
4-(1-acetylcyclopentyl)butan-2-one
CID 123974619

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone (CID 106797132) is 1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone is CC(=O)C1(CCCC(F)(F)F)CC1.
What is the InChIKey of 1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone?
The InChIKey is WCTNREVZRMEKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c1-7(13)8(5-6-8)3-2-4-9(10,11)12/h2-6H2,1H3.
What are the key properties of 1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone?
1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone has a molecular weight of 194.20 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone is sourced from PubChem (CID 106797132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).