1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one

C11H20FNO2 — CID 154873943

IUPAC1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one
SMILESCCCC(C)(O)CC(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C11H20FNO2/c1-3-5-11(2,15)7-10(14)13-6-4-9(12)8-13/h9,15H,3-8H2,1-2H3/t9-,11?/m1/s1
InChIKeyIKTQWVOUIGMUAM-BFHBGLAWSA-N
MW217.28 g/mol
LogP1.50
Rot. Bonds4

About 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one

1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one (PubChem CID 154873943) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one
PubChem CID154873943
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one
SMILESCCCC(C)(O)CC(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C11H20FNO2/c1-3-5-11(2,15)7-10(14)13-6-4-9(12)8-13/h9,15H,3-8H2,1-2H3/t9-,11?/m1/s1
InChIKeyIKTQWVOUIGMUAM-BFHBGLAWSA-N
XLogP1.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766
1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one
CID 130296498
1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
N-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide
CID 106290239
1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 62918429
3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 131176631
3-amino-1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 130609463
4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one
CID 83854045
3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103021399
3,3-difluoro-1-(3-methylsulfanylpyrrolidin-1-yl)butan-1-one
CID 126793887
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one?
The IUPAC name of 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one (CID 154873943) is 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one.
What is the SMILES notation for 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one?
The canonical SMILES for 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one is CCCC(C)(O)CC(=O)N1CC[C@@H](F)C1.
What is the InChIKey of 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one?
The InChIKey is IKTQWVOUIGMUAM-BFHBGLAWSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-3-5-11(2,15)7-10(14)13-6-4-9(12)8-13/h9,15H,3-8H2,1-2H3/t9-,11?/m1/s1.
What are the key properties of 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one?
1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one has a molecular weight of 217.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-hydroxy-3-methylhexan-1-one is sourced from PubChem (CID 154873943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).