[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone

C14H18F2N2O2S — CID 110108519

IUPAC[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H18F2N2O2S/c15-14(16)2-4-17(5-3-14)11-7-18(8-12(11)19)13(20)10-1-6-21-9-10/h1,6,9,11-12,19H,2-5,7-8H2/t11-,12-/m1/s1
InChIKeyPHJJSEZMTTWVIN-VXGBXAGGSA-N
MW316.37 g/mol
LogP1.66
Rot. Bonds2

About [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone

[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 110108519) has the molecular formula C14H18F2N2O2S and a molecular weight of 316.37 g/mol. Its IUPAC name is [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID110108519
Molecular FormulaC14H18F2N2O2S
Molecular Weight316.37 g/mol
Exact Mass316.11
IUPAC Name[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H18F2N2O2S/c15-14(16)2-4-17(5-3-14)11-7-18(8-12(11)19)13(20)10-1-6-21-9-10/h1,6,9,11-12,19H,2-5,7-8H2/t11-,12-/m1/s1
InChIKeyPHJJSEZMTTWVIN-VXGBXAGGSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 110108519) is [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1.
What is the InChIKey of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is PHJJSEZMTTWVIN-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H18F2N2O2S/c15-14(16)2-4-17(5-3-14)11-7-18(8-12(11)19)13(20)10-1-6-21-9-10/h1,6,9,11-12,19H,2-5,7-8H2/t11-,12-/m1/s1.
What are the key properties of [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone?
[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 316.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 110108519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).