1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one

C14H22F3NO3 — CID 103209221

IUPAC1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)N1CCCC1C1CCCC1O
InChIInChI=1S/C14H22F3NO3/c15-14(16,17)9-21-8-6-13(20)18-7-2-4-11(18)10-3-1-5-12(10)19/h10-12,19H,1-9H2
InChIKeyJUSJSQZCGCJURU-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.11
Rot. Bonds5

About 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one

1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 103209221) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID103209221
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)N1CCCC1C1CCCC1O
InChIInChI=1S/C14H22F3NO3/c15-14(16,17)9-21-8-6-13(20)18-7-2-4-11(18)10-3-1-5-12(10)19/h10-12,19H,1-9H2
InChIKeyJUSJSQZCGCJURU-UHFFFAOYSA-N
XLogP2.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 103209221) is 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one is O=C(CCOCC(F)(F)F)N1CCCC1C1CCCC1O.
What is the InChIKey of 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is JUSJSQZCGCJURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c15-14(16,17)9-21-8-6-13(20)18-7-2-4-11(18)10-3-1-5-12(10)19/h10-12,19H,1-9H2.
What are the key properties of 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 309.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 103209221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).