(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone

C9H14F2N2O2 — CID 67293830

IUPAC(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CC(O)C(F)(F)C1
InChIInChI=1S/C9H14F2N2O2/c10-9(11)5-13(4-7(9)14)8(15)6-1-2-12-3-6/h6-7,12,14H,1-5H2
InChIKeyBLMSMPNIUDJKBO-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.57
Rot. Bonds1

About (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone

(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone (PubChem CID 67293830) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
PubChem CID67293830
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CC(O)C(F)(F)C1
InChIInChI=1S/C9H14F2N2O2/c10-9(11)5-13(4-7(9)14)8(15)6-1-2-12-3-6/h6-7,12,14H,1-5H2
InChIKeyBLMSMPNIUDJKBO-UHFFFAOYSA-N
XLogP-0.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone (CID 67293830) is (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone is O=C(C1CCNC1)N1CC(O)C(F)(F)C1.
What is the InChIKey of (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is BLMSMPNIUDJKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c10-9(11)5-13(4-7(9)14)8(15)6-1-2-12-3-6/h6-7,12,14H,1-5H2.
What are the key properties of (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone?
(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 220.22 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 67293830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).