(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

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Related Compounds

CID 28961248
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CID 452007
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CID 452010
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CID 28961570
CID 28961570
CID 28961840
CID 28961840
CID 44606291
CID 44606291
CID 10858312
CID 10858312
CID 134931243
CID 134931243
CID 10516661
CID 10516661
CID 11032204
CID 11032204
CID 11150526
CID 11150526

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).