(2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol

C14H20F3N3O — CID 129332610

IUPAC(2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
SMILESO[C@H](CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2)C(F)(F)F
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)12(21)8-20-7-3-6-11(20)13-18-9-4-1-2-5-10(9)19-13/h11-12,21H,1-8H2,(H,18,19)/t11-,12-/m1/s1
InChIKeyDNDOWTFODQAEJX-VXGBXAGGSA-N
MW303.33 g/mol
LogP2.35
Rot. Bonds3

About (2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol

(2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 129332610) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
PubChem CID129332610
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name(2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
SMILESO[C@H](CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2)C(F)(F)F
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)12(21)8-20-7-3-6-11(20)13-18-9-4-1-2-5-10(9)19-13/h11-12,21H,1-8H2,(H,18,19)/t11-,12-/m1/s1
InChIKeyDNDOWTFODQAEJX-VXGBXAGGSA-N
XLogP2.35
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol (CID 129332610) is (2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol is O[C@H](CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is DNDOWTFODQAEJX-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)12(21)8-20-7-3-6-11(20)13-18-9-4-1-2-5-10(9)19-13/h11-12,21H,1-8H2,(H,18,19)/t11-,12-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 303.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 129332610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).