3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride

C7H12ClF2NO2 — CID 121483180

IUPAC3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CC[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C7H11F2NO2.ClH/c8-7(9)3-5(10-4-7)1-2-6(11)12;/h5,10H,1-4H2,(H,11,12);1H/t5-;/m1./s1
InChIKeyWKTNKTIODBOQSP-NUBCRITNSA-N
MW215.63 g/mol
LogP1.27
Rot. Bonds3

About 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride

3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride (PubChem CID 121483180) has the molecular formula C7H12ClF2NO2 and a molecular weight of 215.63 g/mol. Its IUPAC name is 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride
PubChem CID121483180
Molecular FormulaC7H12ClF2NO2
Molecular Weight215.63 g/mol
Exact Mass215.05
IUPAC Name3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CC[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C7H11F2NO2.ClH/c8-7(9)3-5(10-4-7)1-2-6(11)12;/h5,10H,1-4H2,(H,11,12);1H/t5-;/m1./s1
InChIKeyWKTNKTIODBOQSP-NUBCRITNSA-N
XLogP1.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.63
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride (CID 121483180) is 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride is Cl.O=C(O)CC[C@@H]1CC(F)(F)CN1.
What is the InChIKey of 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride?
The InChIKey is WKTNKTIODBOQSP-NUBCRITNSA-N. The full InChI is InChI=1S/C7H11F2NO2.ClH/c8-7(9)3-5(10-4-7)1-2-6(11)12;/h5,10H,1-4H2,(H,11,12);1H/t5-;/m1./s1.
What are the key properties of 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride?
3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride has a molecular weight of 215.63 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 121483180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).