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

C9H14F3NO — CID 121400525

IUPAC2-methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one
SMILESCC(C)C(=O)C1(NCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-6(2)7(14)8(3-4-8)13-5-9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyGIKVYHWJJPIDGL-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.90
Rot. Bonds4

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

2-methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one (PubChem CID 121400525) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one
PubChem CID121400525
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name2-methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one
SMILESCC(C)C(=O)C1(NCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-6(2)7(14)8(3-4-8)13-5-9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyGIKVYHWJJPIDGL-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 18739772
(3S)-6,6,6-trifluoro-3-(methylamino)-5-(trifluoromethyl)hexan-2-one
CID 89230316
1-[1-(2,2,2-Trifluoroethylamino)cyclopropyl]ethanone
CID 89694680
1-[1-(2-Fluoroethylamino)cyclopropyl]ethanone
CID 118461042
7,7,7-Trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one
CID 130433887
7,7,7-Trifluoro-2,6-dimethyl-4-(propan-2-ylamino)heptan-3-one
CID 130433914
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
1-[1-(2,2,2-Trifluoroethylamino)cyclopropyl]propan-1-one
CID 130457347
2-Ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one
CID 130457348
(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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one (CID 121400525) is 2-methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one is CC(C)C(=O)C1(NCC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one?
The InChIKey is GIKVYHWJJPIDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-6(2)7(14)8(3-4-8)13-5-9(10,11)12/h6,13H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one?
2-methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one has a molecular weight of 209.21 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]propan-1-one is sourced from PubChem (CID 121400525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).