1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C14H22F3NO3 — CID 103209223

IUPAC1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCCC1C1CCCCC1O
InChIInChI=1S/C14H22F3NO3/c15-14(16,17)9-21-8-13(20)18-7-3-5-11(18)10-4-1-2-6-12(10)19/h10-12,19H,1-9H2
InChIKeyBUZKMZPXEUUYIC-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.11
Rot. Bonds4

About 1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103209223) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103209223
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCCC1C1CCCCC1O
InChIInChI=1S/C14H22F3NO3/c15-14(16,17)9-21-8-13(20)18-7-3-5-11(18)10-4-1-2-6-12(10)19/h10-12,19H,1-9H2
InChIKeyBUZKMZPXEUUYIC-UHFFFAOYSA-N
XLogP2.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 103209223) is 1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)N1CCCC1C1CCCCC1O.
What is the InChIKey of 1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is BUZKMZPXEUUYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c15-14(16,17)9-21-8-13(20)18-7-3-5-11(18)10-4-1-2-6-12(10)19/h10-12,19H,1-9H2.
What are the key properties of 1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 309.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103209223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).