1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one

C10H18FNO2 — CID 138583479

IUPAC1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CC(O)C(F)C1
InChIInChI=1S/C10H18FNO2/c1-3-4-7(2)10(14)12-5-8(11)9(13)6-12/h7-9,13H,3-6H2,1-2H3
InChIKeyGBMJGHFZMUJORS-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.96
Rot. Bonds3

About 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one

1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one (PubChem CID 138583479) 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)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one
PubChem CID138583479
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CC(O)C(F)C1
InChIInChI=1S/C10H18FNO2/c1-3-4-7(2)10(14)12-5-8(11)9(13)6-12/h7-9,13H,3-6H2,1-2H3
InChIKeyGBMJGHFZMUJORS-UHFFFAOYSA-N
XLogP0.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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)-2-methylpentan-1-one?
The IUPAC name of 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one (CID 138583479) is 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one is CCCC(C)C(=O)N1CC(O)C(F)C1.
What is the InChIKey of 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one?
The InChIKey is GBMJGHFZMUJORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-3-4-7(2)10(14)12-5-8(11)9(13)6-12/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one?
1-(3-fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one has a molecular weight of 203.26 g/mol, XLogP of 0.96, 3 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)-2-methylpentan-1-one is sourced from PubChem (CID 138583479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).