2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride

C7H15ClFNO — CID 167724587

IUPAC2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride
SMILESCC(C)(O)[C@@H]1C[C@@H](F)CN1.Cl
InChIInChI=1S/C7H14FNO.ClH/c1-7(2,10)6-3-5(8)4-9-6;/h5-6,9-10H,3-4H2,1-2H3;1H/t5-,6+;/m1./s1
InChIKeyMDBDTUWOYLFFGV-IBTYICNHSA-N
MW183.65 g/mol
LogP0.88
Rot. Bonds1

About 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride

2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride (PubChem CID 167724587) has the molecular formula C7H15ClFNO and a molecular weight of 183.65 g/mol. Its IUPAC name is 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride
PubChem CID167724587
Molecular FormulaC7H15ClFNO
Molecular Weight183.65 g/mol
Exact Mass183.08
IUPAC Name2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride
SMILESCC(C)(O)[C@@H]1C[C@@H](F)CN1.Cl
InChIInChI=1S/C7H14FNO.ClH/c1-7(2,10)6-3-5(8)4-9-6;/h5-6,9-10H,3-4H2,1-2H3;1H/t5-,6+;/m1./s1
InChIKeyMDBDTUWOYLFFGV-IBTYICNHSA-N
XLogP0.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.65
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-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride?
The IUPAC name of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride (CID 167724587) is 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride is CC(C)(O)[C@@H]1C[C@@H](F)CN1.Cl.
What is the InChIKey of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride?
The InChIKey is MDBDTUWOYLFFGV-IBTYICNHSA-N. The full InChI is InChI=1S/C7H14FNO.ClH/c1-7(2,10)6-3-5(8)4-9-6;/h5-6,9-10H,3-4H2,1-2H3;1H/t5-,6+;/m1./s1.
What are the key properties of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride?
2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride has a molecular weight of 183.65 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 167724587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).