2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one

C10H16F3NO — CID 79570863

IUPAC2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one
SMILESCN(CCC1CCCC1=O)CC(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-14(7-10(11,12)13)6-5-8-3-2-4-9(8)15/h8H,2-7H2,1H3
InChIKeyTVKHLRYBQGWVKR-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.24
Rot. Bonds4

About 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one

2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one (PubChem CID 79570863) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one
PubChem CID79570863
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one
SMILESCN(CCC1CCCC1=O)CC(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-14(7-10(11,12)13)6-5-8-3-2-4-9(8)15/h8H,2-7H2,1H3
InChIKeyTVKHLRYBQGWVKR-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one (CID 79570863) is 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one is CN(CCC1CCCC1=O)CC(F)(F)F.
What is the InChIKey of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one?
The InChIKey is TVKHLRYBQGWVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-14(7-10(11,12)13)6-5-8-3-2-4-9(8)15/h8H,2-7H2,1H3.
What are the key properties of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one?
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one has a molecular weight of 223.24 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one is sourced from PubChem (CID 79570863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).