1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one

C12H20F3NO — CID 55098226

IUPAC1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H20F3NO/c1-11(2,3)10(17)6-7-16(9-4-5-9)8-12(13,14)15/h9H,4-8H2,1-3H3
InChIKeyYASCXBOYOVIFLE-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.02
Rot. Bonds5

About 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one

1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one (PubChem CID 55098226) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one
PubChem CID55098226
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H20F3NO/c1-11(2,3)10(17)6-7-16(9-4-5-9)8-12(13,14)15/h9H,4-8H2,1-3H3
InChIKeyYASCXBOYOVIFLE-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one?
The IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one (CID 55098226) is 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one is CC(C)(C)C(=O)CCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one?
The InChIKey is YASCXBOYOVIFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-11(2,3)10(17)6-7-16(9-4-5-9)8-12(13,14)15/h9H,4-8H2,1-3H3.
What are the key properties of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one?
1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one has a molecular weight of 251.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one is sourced from PubChem (CID 55098226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).