(3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol

C16H22FNO3 — CID 69499693

IUPAC(3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol
SMILESCC1(C)OCC(C2[C@@H](O)C(F)CN2Cc2ccccc2)O1
InChIInChI=1S/C16H22FNO3/c1-16(2)20-10-13(21-16)14-15(19)12(17)9-18(14)8-11-6-4-3-5-7-11/h3-7,12-15,19H,8-10H2,1-2H3/t12?,13?,14?,15-/m0/s1
InChIKeyXJMHNIZXQFSUSO-BOADVZGGSA-N
MW295.35 g/mol
LogP1.72
Rot. Bonds3

About (3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol

(3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol (PubChem CID 69499693) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is (3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol
PubChem CID69499693
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name(3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol
SMILESCC1(C)OCC(C2[C@@H](O)C(F)CN2Cc2ccccc2)O1
InChIInChI=1S/C16H22FNO3/c1-16(2)20-10-13(21-16)14-15(19)12(17)9-18(14)8-11-6-4-3-5-7-11/h3-7,12-15,19H,8-10H2,1-2H3/t12?,13?,14?,15-/m0/s1
InChIKeyXJMHNIZXQFSUSO-BOADVZGGSA-N
XLogP1.72
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol?
The IUPAC name of (3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol (CID 69499693) is (3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol is CC1(C)OCC(C2[C@@H](O)C(F)CN2Cc2ccccc2)O1.
What is the InChIKey of (3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol?
The InChIKey is XJMHNIZXQFSUSO-BOADVZGGSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-16(2)20-10-13(21-16)14-15(19)12(17)9-18(14)8-11-6-4-3-5-7-11/h3-7,12-15,19H,8-10H2,1-2H3/t12?,13?,14?,15-/m0/s1.
What are the key properties of (3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol?
(3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol has a molecular weight of 295.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 69499693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).