5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde

C14H19FO3S — CID 89030773

IUPAC5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(CCC[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2F)s1
InChIInChI=1S/C14H19FO3S/c15-13-6-14(18)12(8-17)11(13)3-1-2-9-4-5-10(7-16)19-9/h4-5,7,11-14,17-18H,1-3,6,8H2/t11-,12-,13-,14-/m1/s1
InChIKeyCGQTWFPVOVRYKQ-AAVRWANBSA-N
MW286.37 g/mol
LogP2.21
Rot. Bonds6

About 5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde

5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde (PubChem CID 89030773) has the molecular formula C14H19FO3S and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde
PubChem CID89030773
Molecular FormulaC14H19FO3S
Molecular Weight286.37 g/mol
Exact Mass286.10
IUPAC Name5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(CCC[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2F)s1
InChIInChI=1S/C14H19FO3S/c15-13-6-14(18)12(8-17)11(13)3-1-2-9-4-5-10(7-16)19-9/h4-5,7,11-14,17-18H,1-3,6,8H2/t11-,12-,13-,14-/m1/s1
InChIKeyCGQTWFPVOVRYKQ-AAVRWANBSA-N
XLogP2.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[(1R,2R,3R,5R)-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid
CID 57734116
5-[3-[(2R)-4-hydroxy-2-(trifluoromethyl)cyclopentyl]propyl]thiophene-2-carboxylic acid
CID 68404028
5-[3-[(1R,2R,3R,5R)-2-[(3,5-difluorophenyl)sulfanylmethyl]-3-hydroxy-5-iodocyclopentyl]propyl]thiophene-2-carbaldehyde
CID 88910345
5-[3-[(1R,2S,4R,5S)-2,4-dihydroxy-5-(2-phenylethynyl)-2-(trifluoromethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde
CID 88970422
5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(2-phenylethynyl)cyclopentyl]propyl]thiophene-2-carbaldehyde
CID 88970430
5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde
CID 89030775
5-[3-[(1S)-2-[(E)-4-(1-ethylcyclobutyl)-4-hydroxybut-1-enyl]-3-fluorocyclopentyl]propyl]thiophene-2-carbaldehyde
CID 89149895
5-[3-[(1S)-2-[4-(1-ethylcyclobutyl)-4-hydroxybutyl]-3-fluorocyclopentyl]propyl]thiophene-2-carbaldehyde
CID 89149896
5-[3-[(1R,2R,3R,5R)-2-[(3S,7R)-3,7-dihydroxyoct-1-enyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid
CID 91396838
5-[3-(3-Hydroxy-2-methylcyclopentyl)propyl]thiophene-2-carboxylic acid;yttrium
CID 57692796
1-[5-[3-(3-Hydroxy-2-methylcyclopentyl)propyl]thiophen-2-yl]ethanone;yttrium
CID 57692798
(Z)-7-[(1R,5R)-2-hydroxy-5-[(E)-5-(5-methylthiophen-2-yl)-3-oxopent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 58806908

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde (CID 89030773) is 5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde is O=Cc1ccc(CCC[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2F)s1.
What is the InChIKey of 5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde?
The InChIKey is CGQTWFPVOVRYKQ-AAVRWANBSA-N. The full InChI is InChI=1S/C14H19FO3S/c15-13-6-14(18)12(8-17)11(13)3-1-2-9-4-5-10(7-16)19-9/h4-5,7,11-14,17-18H,1-3,6,8H2/t11-,12-,13-,14-/m1/s1.
What are the key properties of 5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde?
5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde has a molecular weight of 286.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]propyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 89030773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).