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

C10H18FNO2 — CID 146509986

IUPAC1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C10H18FNO2/c1-2-3-4-5-10(14)12-6-8(11)9(13)7-12/h8-9,13H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyVULORZZUIYGRFK-RKDXNWHRSA-N
MW203.26 g/mol
LogP1.11
Rot. Bonds4

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

1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one (PubChem CID 146509986) 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]hexan-1-one.

Molecular Properties

Compound Name1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one
PubChem CID146509986
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C10H18FNO2/c1-2-3-4-5-10(14)12-6-8(11)9(13)7-12/h8-9,13H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyVULORZZUIYGRFK-RKDXNWHRSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]hexan-1-one
CID 79410087
1-(3,4-dihydroxypyrrolidin-1-yl)octan-1-one
CID 86230613
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 122536398
1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 77405134
1-(3-hydroxyazetidin-1-yl)dodecan-1-one
CID 65428081
1-(3-hydroxyazetidin-1-yl)nonan-1-one
CID 63105492
1-(3-hydroxy-4-methylpiperidin-1-yl)decan-1-one
CID 103900332
1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one
CID 118588542
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
5-chloro-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one
CID 106668453
1-[(1S,5R)-8-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]hexan-1-one
CID 170268562
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one?
The IUPAC name of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one (CID 146509986) is 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one is CCCCCC(=O)N1C[C@@H](O)[C@H](F)C1.
What is the InChIKey of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one?
The InChIKey is VULORZZUIYGRFK-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-2-3-4-5-10(14)12-6-8(11)9(13)7-12/h8-9,13H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one?
1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one has a molecular weight of 203.26 g/mol, XLogP of 1.11, 4 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]hexan-1-one is sourced from PubChem (CID 146509986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).