[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

C14H16F3NO3 — CID 110023701

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCC(O)C1CCN(C(=O)c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C14H16F3NO3/c1-9(19)10-6-7-18(8-10)13(20)11-4-2-3-5-12(11)21-14(15,16)17/h2-5,9-10,19H,6-8H2,1H3
InChIKeyBORDVGUJFDPUPY-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.43
Rot. Bonds3

About [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 110023701) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID110023701
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCC(O)C1CCN(C(=O)c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C14H16F3NO3/c1-9(19)10-6-7-18(8-10)13(20)11-4-2-3-5-12(11)21-14(15,16)17/h2-5,9-10,19H,6-8H2,1H3
InChIKeyBORDVGUJFDPUPY-UHFFFAOYSA-N
XLogP2.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 110023701) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is CC(O)C1CCN(C(=O)c2ccccc2OC(F)(F)F)C1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is BORDVGUJFDPUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-9(19)10-6-7-18(8-10)13(20)11-4-2-3-5-12(11)21-14(15,16)17/h2-5,9-10,19H,6-8H2,1H3.
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 303.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 110023701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).