(3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone

C13H20F3NO2 — CID 103745668

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1(O)CCN(C(=O)C2CCCCC2C(F)(F)F)C1
InChIInChI=1S/C13H20F3NO2/c1-12(19)6-7-17(8-12)11(18)9-4-2-3-5-10(9)13(14,15)16/h9-10,19H,2-8H2,1H3
InChIKeyYBFRLNZMKVDTBP-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.34
Rot. Bonds1

About (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 103745668) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID103745668
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1(O)CCN(C(=O)C2CCCCC2C(F)(F)F)C1
InChIInChI=1S/C13H20F3NO2/c1-12(19)6-7-17(8-12)11(18)9-4-2-3-5-10(9)13(14,15)16/h9-10,19H,2-8H2,1H3
InChIKeyYBFRLNZMKVDTBP-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone (CID 103745668) is (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone is CC1(O)CCN(C(=O)C2CCCCC2C(F)(F)F)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is YBFRLNZMKVDTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c1-12(19)6-7-17(8-12)11(18)9-4-2-3-5-10(9)13(14,15)16/h9-10,19H,2-8H2,1H3.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 279.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 103745668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).