2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde

C15H24F2O4 — CID 88825255

IUPAC2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde
SMILESCCCCC(F)(F)[C@@H](O)C=C[C@H]1[C@H](CC=O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C15H24F2O4/c1-2-3-7-15(16,17)14(21)5-4-10-11(6-8-18)13(20)9-12(10)19/h4-5,8,10-14,19-21H,2-3,6-7,9H2,1H3/t10-,11-,12-,13+,14-/m0/s1
InChIKeyJMZYZAYEEKNENM-YHQUGGNUSA-N
MW306.35 g/mol
LogP1.68
Rot. Bonds8

About 2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde

2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde (PubChem CID 88825255) has the molecular formula C15H24F2O4 and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde
PubChem CID88825255
Molecular FormulaC15H24F2O4
Molecular Weight306.35 g/mol
Exact Mass306.16
IUPAC Name2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde
SMILESCCCCC(F)(F)[C@@H](O)C=C[C@H]1[C@H](CC=O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C15H24F2O4/c1-2-3-7-15(16,17)14(21)5-4-10-11(6-8-18)13(20)9-12(10)19/h4-5,8,10-14,19-21H,2-3,6-7,9H2,1H3/t10-,11-,12-,13+,14-/m0/s1
InChIKeyJMZYZAYEEKNENM-YHQUGGNUSA-N
XLogP1.68
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoxy]-4-oxobutanoic acid
CID 57061864
CID 89201023
CID 89201023
methyl (E)-5-[(2R,3aR,4R,5R,6aR)-4-[(E,3R)-4,4-difluoro-3-hydroxyoct-1-enyl]-3-fluoro-5-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoate
CID 70489371
2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]acetic acid
CID 15518059
5-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-4-oxopentanoic acid
CID 5283084
(E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol
CID 162547642
7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoct-1-enyl)-3,5-bis(oxan-2-yloxy)cyclopentyl]heptanoic acid
CID 90964614
(Z)-5-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoic acid
CID 52921877
2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde
CID 22822598
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 67853576
7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 134688226
(E)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-oct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid
CID 42607309

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde?
The IUPAC name of 2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde (CID 88825255) is 2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde.
What is the SMILES notation for 2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde?
The canonical SMILES for 2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde is CCCCC(F)(F)[C@@H](O)C=C[C@H]1[C@H](CC=O)[C@H](O)C[C@@H]1O.
What is the InChIKey of 2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde?
The InChIKey is JMZYZAYEEKNENM-YHQUGGNUSA-N. The full InChI is InChI=1S/C15H24F2O4/c1-2-3-7-15(16,17)14(21)5-4-10-11(6-8-18)13(20)9-12(10)19/h4-5,8,10-14,19-21H,2-3,6-7,9H2,1H3/t10-,11-,12-,13+,14-/m0/s1.
What are the key properties of 2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde?
2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde has a molecular weight of 306.35 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,3S,5R)-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]acetaldehyde is sourced from PubChem (CID 88825255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).