2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol

C14H21FN2O2 — CID 123684408

IUPAC2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol
SMILESC=C1C(CO)C(O)C(F)C1n1cnc(C)c1C(C)C
InChIInChI=1S/C14H21FN2O2/c1-7(2)12-9(4)16-6-17(12)13-8(3)10(5-18)14(19)11(13)15/h6-7,10-11,13-14,18-19H,3,5H2,1-2,4H3
InChIKeySTBQNARWYATJMB-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.73
Rot. Bonds3

About 2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol

2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol (PubChem CID 123684408) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol
PubChem CID123684408
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol
SMILESC=C1C(CO)C(O)C(F)C1n1cnc(C)c1C(C)C
InChIInChI=1S/C14H21FN2O2/c1-7(2)12-9(4)16-6-17(12)13-8(3)10(5-18)14(19)11(13)15/h6-7,10-11,13-14,18-19H,3,5H2,1-2,4H3
InChIKeySTBQNARWYATJMB-UHFFFAOYSA-N
XLogP1.73
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trans-(2S,5R)-3-(6-aminopurin-9-yl)-2-fluoro-5-(hydroxymethyl)-4-methylidenecyclopentan-1-ol
CID 121320951
(1R,2R,3R,5R)-3-(6-aminopurin-9-yl)-2-fluoro-5-(hydroxymethyl)-4-methylidenecyclopentan-1-ol
CID 52920495
1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 156787226
3-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 156787208
ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole
CID 176927418
(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 10379075
(2R,3R,4S,5R)-5-(2-amino-6-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 137482466
methyl (2S)-2-[[[(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-3-fluoro-2-hydroxy-5-methylidenecyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 71533662
propan-2-yl (2S)-2-[[[(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-3-fluoro-2-hydroxy-5-methylidenecyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 171837004
(2R,3R,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 14853623
(1R,2S,4R)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)-3-methylidenecyclobutane-1-carbonitrile
CID 147729560
N-[9-[(2R,4R,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 137148887

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol?
The IUPAC name of 2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol (CID 123684408) is 2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for 2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol is C=C1C(CO)C(O)C(F)C1n1cnc(C)c1C(C)C.
What is the InChIKey of 2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol?
The InChIKey is STBQNARWYATJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-7(2)12-9(4)16-6-17(12)13-8(3)10(5-18)14(19)11(13)15/h6-7,10-11,13-14,18-19H,3,5H2,1-2,4H3.
What are the key properties of 2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol?
2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol has a molecular weight of 268.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 123684408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).