4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol

C17H23F3N2O — CID 70286606

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESN[C@@H]1CCN(C2CCC(O)(c3ccccc3C(F)(F)F)CC2)C1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)15-4-2-1-3-14(15)16(23)8-5-13(6-9-16)22-10-7-12(21)11-22/h1-4,12-13,23H,5-11,21H2/t12-,13?,16?/m1/s1
InChIKeyGKGQIUREORSEGZ-VEAWUBTESA-N
MW328.38 g/mol
LogP2.87
Rot. Bonds2

About 4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol

4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 70286606) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID70286606
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESN[C@@H]1CCN(C2CCC(O)(c3ccccc3C(F)(F)F)CC2)C1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)15-4-2-1-3-14(15)16(23)8-5-13(6-9-16)22-10-7-12(21)11-22/h1-4,12-13,23H,5-11,21H2/t12-,13?,16?/m1/s1
InChIKeyGKGQIUREORSEGZ-VEAWUBTESA-N
XLogP2.87
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 70286606) is 4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol is N[C@@H]1CCN(C2CCC(O)(c3ccccc3C(F)(F)F)CC2)C1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is GKGQIUREORSEGZ-VEAWUBTESA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)15-4-2-1-3-14(15)16(23)8-5-13(6-9-16)22-10-7-12(21)11-22/h1-4,12-13,23H,5-11,21H2/t12-,13?,16?/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol?
4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 328.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 70286606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).