2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one

C8H14FNO2 — CID 130562003

IUPAC2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)N1CCC(O)C1
InChIInChI=1S/C8H14FNO2/c1-8(2,9)7(12)10-4-3-6(11)5-10/h6,11H,3-5H2,1-2H3
InChIKeySZVUKENMDXBYIB-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.33
Rot. Bonds1

About 2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one

2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one (PubChem CID 130562003) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
PubChem CID130562003
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)N1CCC(O)C1
InChIInChI=1S/C8H14FNO2/c1-8(2,9)7(12)10-4-3-6(11)5-10/h6,11H,3-5H2,1-2H3
InChIKeySZVUKENMDXBYIB-UHFFFAOYSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one (CID 130562003) is 2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one is CC(C)(F)C(=O)N1CCC(O)C1.
What is the InChIKey of 2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one?
The InChIKey is SZVUKENMDXBYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-8(2,9)7(12)10-4-3-6(11)5-10/h6,11H,3-5H2,1-2H3.
What are the key properties of 2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one?
2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one has a molecular weight of 175.20 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 130562003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).