1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one

C10H18FNO2 — CID 138583475

IUPAC1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1C[C@@H](O)[C@H](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/t7?,8-,9-/m1/s1
InChIKeyGBMJGHFZMUJORS-CFCGPWAMSA-N
MW203.26 g/mol
LogP0.96
Rot. Bonds3

About 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one

1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one (PubChem CID 138583475) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one
PubChem CID138583475
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1C[C@@H](O)[C@H](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/t7?,8-,9-/m1/s1
InChIKeyGBMJGHFZMUJORS-CFCGPWAMSA-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-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one (CID 138583475) is 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one is CCCC(C)C(=O)N1C[C@@H](O)[C@H](F)C1.
What is the InChIKey of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one?
The InChIKey is GBMJGHFZMUJORS-CFCGPWAMSA-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/t7?,8-,9-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one?
1-[(3R,4R)-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-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 138583475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).