2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one

C11H16F3NO — CID 79544634

IUPAC2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1CC(F)(F)F
InChIInChI=1S/C11H16F3NO/c12-11(13,14)7-15-6-2-4-9(15)8-3-1-5-10(8)16/h8-9H,1-7H2
InChIKeyYGZTWERZMVMEKK-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.38
Rot. Bonds2

About 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79544634) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79544634
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1CC(F)(F)F
InChIInChI=1S/C11H16F3NO/c12-11(13,14)7-15-6-2-4-9(15)8-3-1-5-10(8)16/h8-9H,1-7H2
InChIKeyYGZTWERZMVMEKK-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 79544634) is 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCN1CC(F)(F)F.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is YGZTWERZMVMEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c12-11(13,14)7-15-6-2-4-9(15)8-3-1-5-10(8)16/h8-9H,1-7H2.
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 235.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79544634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).