(2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one

C11H20FNO2 — CID 45081146

IUPAC(2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
SMILESCC(C)(C)[C@H](O)[C@@H](F)C(=O)N1CCCC1
InChIInChI=1S/C11H20FNO2/c1-11(2,3)9(14)8(12)10(15)13-6-4-5-7-13/h8-9,14H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyKINPOPFMMKBXMY-RKDXNWHRSA-N
MW217.28 g/mol
LogP1.35
Rot. Bonds2

About (2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one

(2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one (PubChem CID 45081146) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is (2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name(2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
PubChem CID45081146
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name(2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
SMILESCC(C)(C)[C@H](O)[C@@H](F)C(=O)N1CCCC1
InChIInChI=1S/C11H20FNO2/c1-11(2,3)9(14)8(12)10(15)13-6-4-5-7-13/h8-9,14H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyKINPOPFMMKBXMY-RKDXNWHRSA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(Hydroxymethyl)-3-methylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 86815516
1-[(4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-3-hydroxypropan-1-one
CID 121246971
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one
CID 138583474
1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpentan-1-one
CID 138583475
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpentan-1-one
CID 138583479
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)-2-methylhexan-1-one
CID 146509990
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 155411439
(3S)-3-hydroxy-N,N,4,4-tetramethylpentanamide
CID 13197451
(2S,3R)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide
CID 135055120
(2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide
CID 135055401
(3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide
CID 11579605
2-Fluoro-3-hydroxy-4,4-dimethyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 13541850

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of (2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one (CID 45081146) is (2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for (2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for (2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one is CC(C)(C)[C@H](O)[C@@H](F)C(=O)N1CCCC1.
What is the InChIKey of (2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one?
The InChIKey is KINPOPFMMKBXMY-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-11(2,3)9(14)8(12)10(15)13-6-4-5-7-13/h8-9,14H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one?
(2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one has a molecular weight of 217.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-fluoro-3-hydroxy-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 45081146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).