2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one

C14H20F3NO3 — CID 103874951

IUPAC2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1C(=O)CCOCC(F)(F)F
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)9-21-8-6-13(20)18-7-2-4-11(18)10-3-1-5-12(10)19/h10-11H,1-9H2
InChIKeyWMZANGHCBHSFLU-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.32
Rot. Bonds5

About 2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one

2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 103874951) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID103874951
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1C(=O)CCOCC(F)(F)F
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)9-21-8-6-13(20)18-7-2-4-11(18)10-3-1-5-12(10)19/h10-11H,1-9H2
InChIKeyWMZANGHCBHSFLU-UHFFFAOYSA-N
XLogP2.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoroethyl N-[3-oxo-3-[(2R)-2-[(1R)-2-oxocyclohexyl]pyrrolidin-1-yl]propyl]carbamate
CID 95975206
1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 129430447
2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539486
2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79547559
2-(1-butanoylpiperidin-2-yl)cyclopentan-1-one
CID 79545289
2-(1-octanoylpyrrolidin-2-yl)cyclopentan-1-one
CID 79548429
2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546344
2-(1-octanoylpyrrolidin-2-yl)cyclohexan-1-one
CID 79539477
2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one
CID 79544925
2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
CID 79544313
1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 124677486
2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one
CID 103020598

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one (CID 103874951) is 2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCN1C(=O)CCOCC(F)(F)F.
What is the InChIKey of 2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is WMZANGHCBHSFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c15-14(16,17)9-21-8-6-13(20)18-7-2-4-11(18)10-3-1-5-12(10)19/h10-11H,1-9H2.
What are the key properties of 2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 307.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 103874951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).