3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one

C10H16F3NO — CID 79644095

IUPAC3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one
SMILESCCCN(CC(F)(F)F)C1CCC(=O)C1
InChIInChI=1S/C10H16F3NO/c1-2-5-14(7-10(11,12)13)8-3-4-9(15)6-8/h8H,2-7H2,1H3
InChIKeyYKKWCLHLFXFOOS-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.38
Rot. Bonds4

About 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one

3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one (PubChem CID 79644095) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one.

Molecular Properties

Compound Name3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one
PubChem CID79644095
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one
SMILESCCCN(CC(F)(F)F)C1CCC(=O)C1
InChIInChI=1S/C10H16F3NO/c1-2-5-14(7-10(11,12)13)8-3-4-9(15)6-8/h8H,2-7H2,1H3
InChIKeyYKKWCLHLFXFOOS-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(propyl)amino]cyclopentan-1-one
CID 79642682
3-(dibutylamino)cyclopentan-1-one
CID 79644207
N-methyl-2-[(3-oxocyclopentyl)-propylamino]acetamide
CID 79643633
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
N-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60806813
3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine
CID 79467698
3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one
CID 79618179
3-[ethyl(2-methoxyethyl)amino]cyclopentan-1-one
CID 79644212
N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
CID 119934792
3-[bis(2-methylpropyl)amino]cyclopentan-1-one
CID 79643153
3-[cyclopropyl(ethyl)amino]cyclopentan-1-one
CID 79642440
1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
CID 79618717

Frequently Asked Questions

What is the IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one?
The IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one (CID 79644095) is 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one.
What is the SMILES notation for 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one?
The canonical SMILES for 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one is CCCN(CC(F)(F)F)C1CCC(=O)C1.
What is the InChIKey of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one?
The InChIKey is YKKWCLHLFXFOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-2-5-14(7-10(11,12)13)8-3-4-9(15)6-8/h8H,2-7H2,1H3.
What are the key properties of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one?
3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one has a molecular weight of 223.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one is sourced from PubChem (CID 79644095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).