[(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

C12H18F3NO2 — CID 71922607

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CC[C@H](O)C1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)10-4-2-1-3-9(10)11(18)16-6-5-8(17)7-16/h8-10,17H,1-7H2/t8-,9?,10?/m0/s1
InChIKeyALUMKCRRAMPPLR-IDKOKCKLSA-N
MW265.27 g/mol
LogP1.95
Rot. Bonds1

About [(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 71922607) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID71922607
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CC[C@H](O)C1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)10-4-2-1-3-9(10)11(18)16-6-5-8(17)7-16/h8-10,17H,1-7H2/t8-,9?,10?/m0/s1
InChIKeyALUMKCRRAMPPLR-IDKOKCKLSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (CID 71922607) is [(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCCC1C(F)(F)F)N1CC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is ALUMKCRRAMPPLR-IDKOKCKLSA-N. The full InChI is InChI=1S/C12H18F3NO2/c13-12(14,15)10-4-2-1-3-9(10)11(18)16-6-5-8(17)7-16/h8-10,17H,1-7H2/t8-,9?,10?/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 265.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 71922607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).