[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride

C10H17ClF2N2O2 — CID 67294225

IUPAC[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCNC1)N1CC(F)(F)C[C@H]1CO
InChIInChI=1S/C10H16F2N2O2.ClH/c11-10(12)3-8(5-15)14(6-10)9(16)7-1-2-13-4-7;/h7-8,13,15H,1-6H2;1H/t7-,8+;/m1./s1
InChIKeyGWMQTTYZJHAYCL-WLYNEOFISA-N
MW270.71 g/mol
LogP0.25
Rot. Bonds2

About [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride

[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride (PubChem CID 67294225) has the molecular formula C10H17ClF2N2O2 and a molecular weight of 270.71 g/mol. Its IUPAC name is [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride
PubChem CID67294225
Molecular FormulaC10H17ClF2N2O2
Molecular Weight270.71 g/mol
Exact Mass270.09
IUPAC Name[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCNC1)N1CC(F)(F)C[C@H]1CO
InChIInChI=1S/C10H16F2N2O2.ClH/c11-10(12)3-8(5-15)14(6-10)9(16)7-1-2-13-4-7;/h7-8,13,15H,1-6H2;1H/t7-,8+;/m1./s1
InChIKeyGWMQTTYZJHAYCL-WLYNEOFISA-N
XLogP0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride?
The IUPAC name of [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride (CID 67294225) is [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride.
What is the SMILES notation for [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride?
The canonical SMILES for [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride is Cl.O=C([C@@H]1CCNC1)N1CC(F)(F)C[C@H]1CO.
What is the InChIKey of [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride?
The InChIKey is GWMQTTYZJHAYCL-WLYNEOFISA-N. The full InChI is InChI=1S/C10H16F2N2O2.ClH/c11-10(12)3-8(5-15)14(6-10)9(16)7-1-2-13-4-7;/h7-8,13,15H,1-6H2;1H/t7-,8+;/m1./s1.
What are the key properties of [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride?
[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride has a molecular weight of 270.71 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 67294225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).