(3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

C15H14F2N2O3 — CID 165421118

IUPAC(3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2n1ccnc1-c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N2O3/c16-9-2-1-8(5-10(9)17)15-18-3-4-19(15)11-6-21-14-12(20)7-22-13(11)14/h1-5,11-14,20H,6-7H2/t11-,12-,13-,14-/m1/s1
InChIKeyCNLQSJGEMZZGMZ-AAVRWANBSA-N
MW308.28 g/mol
LogP1.53
Rot. Bonds2

About (3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

(3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 165421118) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID165421118
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Name(3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2n1ccnc1-c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N2O3/c16-9-2-1-8(5-10(9)17)15-18-3-4-19(15)11-6-21-14-12(20)7-22-13(11)14/h1-5,11-14,20H,6-7H2/t11-,12-,13-,14-/m1/s1
InChIKeyCNLQSJGEMZZGMZ-AAVRWANBSA-N
XLogP1.53
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-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 (3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of (3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 165421118) is (3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for (3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for (3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2n1ccnc1-c1ccc(F)c(F)c1.
What is the InChIKey of (3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is CNLQSJGEMZZGMZ-AAVRWANBSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c16-9-2-1-8(5-10(9)17)15-18-3-4-19(15)11-6-21-14-12(20)7-22-13(11)14/h1-5,11-14,20H,6-7H2/t11-,12-,13-,14-/m1/s1.
What are the key properties of (3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
(3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 308.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-3-[2-(3,4-difluorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 165421118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).