N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide

C12H19F3N2O — CID 49061001

IUPACN-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1)C1CCCC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)8-17-6-5-10(7-17)16-11(18)9-3-1-2-4-9/h9-10H,1-8H2,(H,16,18)
InChIKeyFSUDYRXAMZBDSP-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.93
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide

N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide (PubChem CID 49061001) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide
PubChem CID49061001
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1)C1CCCC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)8-17-6-5-10(7-17)16-11(18)9-3-1-2-4-9/h9-10H,1-8H2,(H,16,18)
InChIKeyFSUDYRXAMZBDSP-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide (CID 49061001) is N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide is O=C(NC1CCN(CC(F)(F)F)C1)C1CCCC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The InChIKey is FSUDYRXAMZBDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)8-17-6-5-10(7-17)16-11(18)9-3-1-2-4-9/h9-10H,1-8H2,(H,16,18).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide?
N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide has a molecular weight of 264.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 49061001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).