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

C6H10ClF2NO2 — CID 163321539

IUPAC2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)C[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C6H9F2NO2.ClH/c7-6(8)2-4(9-3-6)1-5(10)11;/h4,9H,1-3H2,(H,10,11);1H/t4-;/m1./s1
InChIKeyRMFLOVWQPHFGET-PGMHMLKASA-N
MW201.60 g/mol
LogP0.88
Rot. Bonds2

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

2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid;hydrochloride (PubChem CID 163321539) has the molecular formula C6H10ClF2NO2 and a molecular weight of 201.60 g/mol. Its IUPAC name is 2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid;hydrochloride
PubChem CID163321539
Molecular FormulaC6H10ClF2NO2
Molecular Weight201.60 g/mol
Exact Mass201.04
IUPAC Name2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)C[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C6H9F2NO2.ClH/c7-6(8)2-4(9-3-6)1-5(10)11;/h4,9H,1-3H2,(H,10,11);1H/t4-;/m1./s1
InChIKeyRMFLOVWQPHFGET-PGMHMLKASA-N
XLogP0.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.60
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid;hydrochloride (CID 163321539) is 2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid;hydrochloride is Cl.O=C(O)C[C@@H]1CC(F)(F)CN1.
What is the InChIKey of 2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid;hydrochloride?
The InChIKey is RMFLOVWQPHFGET-PGMHMLKASA-N. The full InChI is InChI=1S/C6H9F2NO2.ClH/c7-6(8)2-4(9-3-6)1-5(10)11;/h4,9H,1-3H2,(H,10,11);1H/t4-;/m1./s1.
What are the key properties of 2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid;hydrochloride?
2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid;hydrochloride has a molecular weight of 201.60 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid;hydrochloride is sourced from PubChem (CID 163321539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).