1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one

C10H18FNO2 — CID 155411439

IUPAC1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CC(O)C(F)C1
InChIInChI=1S/C10H18FNO2/c1-10(2,3)4-9(14)12-5-7(11)8(13)6-12/h7-8,13H,4-6H2,1-3H3
InChIKeyHQKBHZZTEVBAPP-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.96
Rot. Bonds1

About 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one

1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 155411439) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID155411439
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CC(O)C(F)C1
InChIInChI=1S/C10H18FNO2/c1-10(2,3)4-9(14)12-5-7(11)8(13)6-12/h7-8,13H,4-6H2,1-3H3
InChIKeyHQKBHZZTEVBAPP-UHFFFAOYSA-N
XLogP0.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one (CID 155411439) is 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CC(O)C(F)C1.
What is the InChIKey of 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is HQKBHZZTEVBAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-10(2,3)4-9(14)12-5-7(11)8(13)6-12/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 203.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 155411439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).