[(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride

C9H15ClF2N2O2 — CID 67293822

IUPAC[(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1C[C@@H](O)C(F)(F)C1
InChIInChI=1S/C9H14F2N2O2.ClH/c10-9(11)5-13(4-7(9)14)8(15)6-1-2-12-3-6;/h6-7,12,14H,1-5H2;1H/t6?,7-;/m1./s1
InChIKeyHVKYRCQEDXFLFA-SGMQTFONSA-N
MW256.68 g/mol
LogP-0.14
Rot. Bonds1

About [(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride

[(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (PubChem CID 67293822) has the molecular formula C9H15ClF2N2O2 and a molecular weight of 256.68 g/mol. Its IUPAC name is [(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
PubChem CID67293822
Molecular FormulaC9H15ClF2N2O2
Molecular Weight256.68 g/mol
Exact Mass256.08
IUPAC Name[(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1C[C@@H](O)C(F)(F)C1
InChIInChI=1S/C9H14F2N2O2.ClH/c10-9(11)5-13(4-7(9)14)8(15)6-1-2-12-3-6;/h6-7,12,14H,1-5H2;1H/t6?,7-;/m1./s1
InChIKeyHVKYRCQEDXFLFA-SGMQTFONSA-N
XLogP-0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.68
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The IUPAC name of [(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (CID 67293822) is [(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The canonical SMILES for [(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is Cl.O=C(C1CCNC1)N1C[C@@H](O)C(F)(F)C1.
What is the InChIKey of [(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The InChIKey is HVKYRCQEDXFLFA-SGMQTFONSA-N. The full InChI is InChI=1S/C9H14F2N2O2.ClH/c10-9(11)5-13(4-7(9)14)8(15)6-1-2-12-3-6;/h6-7,12,14H,1-5H2;1H/t6?,7-;/m1./s1.
What are the key properties of [(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
[(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride has a molecular weight of 256.68 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 67293822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).