1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one

C8H12F3NO — CID 130457347

IUPAC1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one
SMILESCCC(=O)C1(NCC(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO/c1-2-6(13)7(3-4-7)12-5-8(9,10)11/h12H,2-5H2,1H3
InChIKeyAJZGWUIGZPTFKX-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.65
Rot. Bonds4

About 1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one

1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one (PubChem CID 130457347) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one
PubChem CID130457347
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one
SMILESCCC(=O)C1(NCC(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO/c1-2-6(13)7(3-4-7)12-5-8(9,10)11/h12H,2-5H2,1H3
InChIKeyAJZGWUIGZPTFKX-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,2,2-Trifluoroethylamino)cyclopropyl]ethanone
CID 89694680
1-[1-(2-Fluoroethylamino)cyclopropyl]ethanone
CID 118461042
2-Methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one
CID 121400525
6,6,6-Trifluoro-5-methyl-3-(methylamino)hexan-2-one
CID 130440229
2,4-Dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one
CID 130457187
(3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one
CID 131968819
(4S)-6,6,6-trifluoro-2-methyl-4-(propan-2-ylamino)hexan-3-one
CID 132027430
2-Methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one
CID 162569690
6,6,6-Trifluoro-2-methyl-4-(propan-2-ylamino)hexan-3-one
CID 176638453
2-(Ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one
CID 116566162
2-(Ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one
CID 116566218
6,6,6-Trifluoro-2-methyl-2-(methylamino)hexan-3-one
CID 116566535

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one?
The IUPAC name of 1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one (CID 130457347) is 1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one is CCC(=O)C1(NCC(F)(F)F)CC1.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one?
The InChIKey is AJZGWUIGZPTFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-2-6(13)7(3-4-7)12-5-8(9,10)11/h12H,2-5H2,1H3.
What are the key properties of 1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one?
1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one has a molecular weight of 195.18 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one is sourced from PubChem (CID 130457347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).