(2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol

C14H20F4O4 — CID 11975878

IUPAC(2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol
SMILESC=CCC[C@@H](O)[C@@]1(C(F)F)O[C@@H](CCC=C)[C@](O)(C(F)F)O1
InChIInChI=1S/C14H20F4O4/c1-3-5-7-9(19)14(12(17)18)21-10(8-6-4-2)13(20,22-14)11(15)16/h3-4,9-12,19-20H,1-2,5-8H2/t9-,10+,13-,14-/m1/s1
InChIKeyLWCUFHGSTMXBMJ-RDBQEKCUSA-N
MW328.30 g/mol
LogP2.61
Rot. Bonds9

About (2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol

(2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol (PubChem CID 11975878) has the molecular formula C14H20F4O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is (2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol.

Molecular Properties

Compound Name(2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol
PubChem CID11975878
Molecular FormulaC14H20F4O4
Molecular Weight328.30 g/mol
Exact Mass328.13
IUPAC Name(2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol
SMILESC=CCC[C@@H](O)[C@@]1(C(F)F)O[C@@H](CCC=C)[C@](O)(C(F)F)O1
InChIInChI=1S/C14H20F4O4/c1-3-5-7-9(19)14(12(17)18)21-10(8-6-4-2)13(20,22-14)11(15)16/h3-4,9-12,19-20H,1-2,5-8H2/t9-,10+,13-,14-/m1/s1
InChIKeyLWCUFHGSTMXBMJ-RDBQEKCUSA-N
XLogP2.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol?
The IUPAC name of (2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol (CID 11975878) is (2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol.
What is the SMILES notation for (2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol?
The canonical SMILES for (2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol is C=CCC[C@@H](O)[C@@]1(C(F)F)O[C@@H](CCC=C)[C@](O)(C(F)F)O1.
What is the InChIKey of (2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol?
The InChIKey is LWCUFHGSTMXBMJ-RDBQEKCUSA-N. The full InChI is InChI=1S/C14H20F4O4/c1-3-5-7-9(19)14(12(17)18)21-10(8-6-4-2)13(20,22-14)11(15)16/h3-4,9-12,19-20H,1-2,5-8H2/t9-,10+,13-,14-/m1/s1.
What are the key properties of (2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol?
(2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol has a molecular weight of 328.30 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-5-but-3-enyl-2,4-bis(difluoromethyl)-2-[(1R)-1-hydroxypent-4-enyl]-1,3-dioxolan-4-ol is sourced from PubChem (CID 11975878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).